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N-[1-methyl-6-(propan-2-yloxy)-1H-indazol-3-yl]-5-(1H-pyrazol-1-ylmethyl)furan-2-carboxamide

ChemBase ID: 470473
Molecular Formular: C20H21N5O3
Molecular Mass: 379.41244
Monoisotopic Mass: 379.16443956
SMILES and InChIs

SMILES:
c1(nn(c2c1ccc(c2)OC(C)C)C)NC(=O)c1oc(cc1)Cn1nccc1
Canonical SMILES:
CC(Oc1ccc2c(c1)n(C)nc2NC(=O)c1ccc(o1)Cn1cccn1)C
InChI:
InChI=1S/C20H21N5O3/c1-13(2)27-14-5-7-16-17(11-14)24(3)23-19(16)22-20(26)18-8-6-15(28-18)12-25-10-4-9-21-25/h4-11,13H,12H2,1-3H3,(H,22,23,26)
InChIKey:
CRPHJILTNTWILD-UHFFFAOYSA-N

Cite this record

CBID:470473 http://www.chembase.cn/molecule-470473.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[1-methyl-6-(propan-2-yloxy)-1H-indazol-3-yl]-5-(1H-pyrazol-1-ylmethyl)furan-2-carboxamide
IUPAC Traditional name
N-(6-isopropoxy-1-methylindazol-3-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
Synonyms
N-(6-isopropoxy-1-methyl-1H-indazol-3-yl)-5-(1H-pyrazol-1-ylmethyl)-2-furamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 10.9250145  H Acceptors
H Donor LogD (pH = 5.5) 2.8544972 
LogD (pH = 7.4) 2.854494  Log P 2.8546188 
Molar Refractivity 128.5511 cm3 Polarizability 40.252884 Å3
Polar Surface Area 87.11 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.12  LOG S -4.63 
Polar Surface Area 87.11 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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