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1-(cyclopropylmethyl)-N-(pyridin-2-ylmethyl)-5-{spiro[2.5]octane-1-carbonyl}-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

ChemBase ID: 450121
Molecular Formular: C26H33N5O2
Molecular Mass: 447.57252
Monoisotopic Mass: 447.26342532
SMILES and InChIs

SMILES:
c12c(nn(c1CCN(C(=O)C1C3(C1)CCCCC3)C2)CC1CC1)C(=O)NCc1ncccc1
Canonical SMILES:
O=C(C1CC21CCCCC2)N1CCc2c(C1)c(nn2CC1CC1)C(=O)NCc1ccccn1
InChI:
InChI=1S/C26H33N5O2/c32-24(28-15-19-6-2-5-12-27-19)23-20-17-30(13-9-22(20)31(29-23)16-18-7-8-18)25(33)21-14-26(21)10-3-1-4-11-26/h2,5-6,12,18,21H,1,3-4,7-11,13-17H2,(H,28,32)
InChIKey:
OBSCCMWRUWEDPA-UHFFFAOYSA-N

Cite this record

CBID:450121 http://www.chembase.cn/molecule-450121.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(cyclopropylmethyl)-N-(pyridin-2-ylmethyl)-5-{spiro[2.5]octane-1-carbonyl}-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
IUPAC Traditional name
1-(cyclopropylmethyl)-N-(pyridin-2-ylmethyl)-5-{spiro[2.5]octane-1-carbonyl}-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
Synonyms
1-(cyclopropylmethyl)-N-(2-pyridinylmethyl)-5-(spiro[2.5]oct-1-ylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 13.839205  H Acceptors
H Donor LogD (pH = 5.5) 2.3484738 
LogD (pH = 7.4) 2.3662128  Log P 2.366444 
Molar Refractivity 136.9751 cm3 Polarizability 48.19537 Å3
Polar Surface Area 80.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.6  LOG S -5.71 
Polar Surface Area 80.12 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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