6-cyclopropyl-N-(2-fluoro-5-methylphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

C24H21FN4O — CID 17026311

IUPAC6-cyclopropyl-N-(2-fluoro-5-methylphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(F)c(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccc2)c1
InChIInChI=1S/C24H21FN4O/c1-14-8-11-19(25)21(12-14)27-24(30)18-13-20(16-9-10-16)26-23-22(18)15(2)28-29(23)17-6-4-3-5-7-17/h3-8,11-13,16H,9-10H2,1-2H3,(H,27,30)
InChIKeyMWDQECQPVMUHPL-UHFFFAOYSA-N
MW400.46 g/mol
LogP5.31
Rot. Bonds4

About 6-cyclopropyl-N-(2-fluoro-5-methylphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-N-(2-fluoro-5-methylphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 17026311) has the molecular formula C24H21FN4O and a molecular weight of 400.46 g/mol. Its IUPAC name is 6-cyclopropyl-N-(2-fluoro-5-methylphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-(2-fluoro-5-methylphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID17026311
Molecular FormulaC24H21FN4O
Molecular Weight400.46 g/mol
Exact Mass400.17
IUPAC Name6-cyclopropyl-N-(2-fluoro-5-methylphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(F)c(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccc2)c1
InChIInChI=1S/C24H21FN4O/c1-14-8-11-19(25)21(12-14)27-24(30)18-13-20(16-9-10-16)26-23-22(18)15(2)28-29(23)17-6-4-3-5-7-17/h3-8,11-13,16H,9-10H2,1-2H3,(H,27,30)
InChIKeyMWDQECQPVMUHPL-UHFFFAOYSA-N
XLogP5.31
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.46
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
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B-Raf IN 1
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CID 122419381
2,7-dimethyl-N,3-diphenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 936600
N-[3-(6-methyl[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]benzamide
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CID 118724198
N-[3-[2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)ethynyl]phenyl]-3-(trifluoromethyl)benzamide
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N-benzyl-2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methylacetamide
CID 134134890
N-(3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl)-2-methylbenzamide
CID 7217775
N-(3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl)-3-methylbenzamide
CID 7217794
3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-phenylethyl)propanamide
CID 16008453
N-(4-Fluorophenyl)-3-{3,4,6-trimethyl-1-phenyl-1H-pyrazolo[3,4-B]pyridin-5-YL}propanamide
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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-(2-fluoro-5-methylphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-(2-fluoro-5-methylphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 17026311) is 6-cyclopropyl-N-(2-fluoro-5-methylphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-(2-fluoro-5-methylphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-(2-fluoro-5-methylphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1ccc(F)c(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccc2)c1.
What is the InChIKey of 6-cyclopropyl-N-(2-fluoro-5-methylphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is MWDQECQPVMUHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O/c1-14-8-11-19(25)21(12-14)27-24(30)18-13-20(16-9-10-16)26-23-22(18)15(2)28-29(23)17-6-4-3-5-7-17/h3-8,11-13,16H,9-10H2,1-2H3,(H,27,30).
What are the key properties of 6-cyclopropyl-N-(2-fluoro-5-methylphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-(2-fluoro-5-methylphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 400.46 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-(2-fluoro-5-methylphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 17026311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).