1-(cyclopropylmethyl)-N-methyl-5-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-N-(1,3-thiazol-4-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 476999
• Molecular Formular: C24H30N6O3S
• Molecular Mass: 482.5984
• Monoisotopic Mass: 482.21000985
• SMILES: c1(c2c(n(n1)CC1CC1)CCN(C(=O)c1noc(c1)CC(C)C)C2)C(=O)N(Cc1ncsc1)C
• Canonical SMILES: CC(Cc1onc(c1)C(=O)N1CCc2c(C1)c(nn2CC1CC1)C(=O)N(Cc1cscn1)C)C
• InChI: InChI=1S/C24H30N6O3S/c1-15(2)8-18-9-20(27-33-18)23(31)29-7-6-21-19(12-29)22(26-30(21)10-16-4-5-16)24(32)28(3)11-17-13-34-14-25-17/h9,13-16H,4-8,10-12H2,1-3H3
• InChIKey: GKXUBIZUZOTVBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclopropylmethyl)-N-methyl-5-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-N-(1,3-thiazol-4-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: 1-(cyclopropylmethyl)-N-methyl-5-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-N-(1,3-thiazol-4-ylmethyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 1-(cyclopropylmethyl)-5-[(5-isobutyl-3-isoxazolyl)carbonyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.2878404
• LogD (pH = 7.4): 2.2879827
• Log P: 2.2879846
• Molar Refractivity: 141.3772 cm^3
• Polarizability: 48.19096 Å^3
• Polar Surface Area: 97.36 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 2.13
• LOG S: -5.09
• Polar Surface Area: 97.36 Å^2
• Rotatable Bonds: 7