1-[(3-fluorophenyl)methyl]-N-(2-oxoazepan-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

C26H24FN5O2 — CID 55858160

IUPAC1-[(3-fluorophenyl)methyl]-N-(2-oxoazepan-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C(NC1CCCCNC1=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1
InChIInChI=1S/C26H24FN5O2/c27-19-10-6-7-17(13-19)16-32-24-21(15-29-32)20(14-23(30-24)18-8-2-1-3-9-18)25(33)31-22-11-4-5-12-28-26(22)34/h1-3,6-10,13-15,22H,4-5,11-12,16H2,(H,28,34)(H,31,33)
InChIKeyXHNGQOVMWAOWSR-UHFFFAOYSA-N
MW457.51 g/mol
LogP3.68
Rot. Bonds5

About 1-[(3-fluorophenyl)methyl]-N-(2-oxoazepan-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

1-[(3-fluorophenyl)methyl]-N-(2-oxoazepan-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55858160) has the molecular formula C26H24FN5O2 and a molecular weight of 457.51 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-N-(2-oxoazepan-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-N-(2-oxoazepan-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55858160
Molecular FormulaC26H24FN5O2
Molecular Weight457.51 g/mol
Exact Mass457.19
IUPAC Name1-[(3-fluorophenyl)methyl]-N-(2-oxoazepan-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C(NC1CCCCNC1=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1
InChIInChI=1S/C26H24FN5O2/c27-19-10-6-7-17(13-19)16-32-24-21(15-29-32)20(14-23(30-24)18-8-2-1-3-9-18)25(33)31-22-11-4-5-12-28-26(22)34/h1-3,6-10,13-15,22H,4-5,11-12,16H2,(H,28,34)(H,31,33)
InChIKeyXHNGQOVMWAOWSR-UHFFFAOYSA-N
XLogP3.68
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-3-(1-methyl-6-(pyridin-3-yl)-1H-pyrazolo(3,4-d)pyrimidin-4-ylamino)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16747388
4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide
CID 57377630
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid (6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-amide
CID 57377741
N,4-dimethyl-3-({1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}amino)benzamide
CID 23400214
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CID 3113005
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B-Raf IN 1
CID 24884503
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(3-fluoro-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 67776704
Jqez5
CID 121322599
4-[4-[3-Bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]benzamide
CID 137348547
4-(5-((Pyridin-3-ylmethyl)amino)pyrazolo[1,5-a]pyrimidin-3-yl)benzamide
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Ripk1-IN-19
CID 168007916

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-N-(2-oxoazepan-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-N-(2-oxoazepan-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55858160) is 1-[(3-fluorophenyl)methyl]-N-(2-oxoazepan-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-N-(2-oxoazepan-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-N-(2-oxoazepan-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is O=C(NC1CCCCNC1=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-N-(2-oxoazepan-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is XHNGQOVMWAOWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O2/c27-19-10-6-7-17(13-19)16-32-24-21(15-29-32)20(14-23(30-24)18-8-2-1-3-9-18)25(33)31-22-11-4-5-12-28-26(22)34/h1-3,6-10,13-15,22H,4-5,11-12,16H2,(H,28,34)(H,31,33).
What are the key properties of 1-[(3-fluorophenyl)methyl]-N-(2-oxoazepan-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
1-[(3-fluorophenyl)methyl]-N-(2-oxoazepan-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 457.51 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-N-(2-oxoazepan-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55858160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).