9-[4-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-7-carbonyl]amino]cyclohexyl]pyrido[3,4-b]indole-1-carboxylic acid

C37H29FN6O3 — CID 171811741

IUPAC9-[4-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-7-carbonyl]amino]cyclohexyl]pyrido[3,4-b]indole-1-carboxylic acid
SMILESO=C(O)c1nccc2c3ccccc3n(C3CCC(NC(=O)c4cccc5c(-c6ccncc6)c(-c6ccc(F)cc6)nn45)CC3)c12
InChIInChI=1S/C37H29FN6O3/c38-24-10-8-23(9-11-24)33-32(22-16-19-39-20-17-22)30-6-3-7-31(44(30)42-33)36(45)41-25-12-14-26(15-13-25)43-29-5-2-1-4-27(29)28-18-21-40-34(35(28)43)37(46)47/h1-11,16-21,25-26H,12-15H2,(H,41,45)(H,46,47)
InChIKeyLBKYOJSMRSAMNL-UHFFFAOYSA-N
MW624.68 g/mol
LogP7.32
Rot. Bonds6

About 9-[4-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-7-carbonyl]amino]cyclohexyl]pyrido[3,4-b]indole-1-carboxylic acid

9-[4-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-7-carbonyl]amino]cyclohexyl]pyrido[3,4-b]indole-1-carboxylic acid (PubChem CID 171811741) has the molecular formula C37H29FN6O3 and a molecular weight of 624.68 g/mol. Its IUPAC name is 9-[4-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-7-carbonyl]amino]cyclohexyl]pyrido[3,4-b]indole-1-carboxylic acid.

Molecular Properties

Compound Name9-[4-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-7-carbonyl]amino]cyclohexyl]pyrido[3,4-b]indole-1-carboxylic acid
PubChem CID171811741
Molecular FormulaC37H29FN6O3
Molecular Weight624.68 g/mol
Exact Mass624.23
IUPAC Name9-[4-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-7-carbonyl]amino]cyclohexyl]pyrido[3,4-b]indole-1-carboxylic acid
SMILESO=C(O)c1nccc2c3ccccc3n(C3CCC(NC(=O)c4cccc5c(-c6ccncc6)c(-c6ccc(F)cc6)nn45)CC3)c12
InChIInChI=1S/C37H29FN6O3/c38-24-10-8-23(9-11-24)33-32(22-16-19-39-20-17-22)30-6-3-7-31(44(30)42-33)36(45)41-25-12-14-26(15-13-25)43-29-5-2-1-4-27(29)28-18-21-40-34(35(28)43)37(46)47/h1-11,16-21,25-26H,12-15H2,(H,41,45)(H,46,47)
InChIKeyLBKYOJSMRSAMNL-UHFFFAOYSA-N
XLogP7.32
TPSA114.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.68
LogP ≤ 57.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 9-[4-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-7-carbonyl]amino]cyclohexyl]pyrido[3,4-b]indole-1-carboxylic acid with MolForge

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Related Compounds

US10435396, Example 54
CID 137377343
2-[[1-(Pyridazin-3-ylmethyl)indole-3-carbonyl]amino]benzoic acid
CID 172679724
US9758517, Example 21
CID 136953112
[(6R)-4-[(4-fluorophenyl)methyl]-8-oxo-2-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[4,3-e][1,4]diazepin-6-yl]methyl 1-methylindole-3-carboxylate
CID 45486084
[(6R)-4-[(2-fluorophenyl)methyl]-8-oxo-2-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[4,3-e][1,4]diazepin-6-yl]methyl 1-methylindole-3-carboxylate
CID 45486090
6-[[2-Methyl-1-(1-methylpyrazol-4-yl)indol-3-yl]methyl]pyridine-2-carboxylic acid
CID 137643757
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxylic acid
CID 15958788
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-indol-7-yl]-1H-pyrazole-5-carboxylic acid
CID 10163366
N-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 11546957
4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid
CID 45136967
3-[3-[2-(4-acetylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxylic acid
CID 59113400
1-(4-Fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-4-carboxylic acid {(S)-1-[2-(1-hydroxy-1-methyl-ethyl)-pyridin-4-yl]-propyl}-amide
CID 59278105

Frequently Asked Questions

What is the IUPAC name of 9-[4-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-7-carbonyl]amino]cyclohexyl]pyrido[3,4-b]indole-1-carboxylic acid?
The IUPAC name of 9-[4-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-7-carbonyl]amino]cyclohexyl]pyrido[3,4-b]indole-1-carboxylic acid (CID 171811741) is 9-[4-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-7-carbonyl]amino]cyclohexyl]pyrido[3,4-b]indole-1-carboxylic acid.
What is the SMILES notation for 9-[4-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-7-carbonyl]amino]cyclohexyl]pyrido[3,4-b]indole-1-carboxylic acid?
The canonical SMILES for 9-[4-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-7-carbonyl]amino]cyclohexyl]pyrido[3,4-b]indole-1-carboxylic acid is O=C(O)c1nccc2c3ccccc3n(C3CCC(NC(=O)c4cccc5c(-c6ccncc6)c(-c6ccc(F)cc6)nn45)CC3)c12.
What is the InChIKey of 9-[4-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-7-carbonyl]amino]cyclohexyl]pyrido[3,4-b]indole-1-carboxylic acid?
The InChIKey is LBKYOJSMRSAMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H29FN6O3/c38-24-10-8-23(9-11-24)33-32(22-16-19-39-20-17-22)30-6-3-7-31(44(30)42-33)36(45)41-25-12-14-26(15-13-25)43-29-5-2-1-4-27(29)28-18-21-40-34(35(28)43)37(46)47/h1-11,16-21,25-26H,12-15H2,(H,41,45)(H,46,47).
What are the key properties of 9-[4-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-7-carbonyl]amino]cyclohexyl]pyrido[3,4-b]indole-1-carboxylic acid?
9-[4-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-7-carbonyl]amino]cyclohexyl]pyrido[3,4-b]indole-1-carboxylic acid has a molecular weight of 624.68 g/mol, XLogP of 7.32, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-7-carbonyl]amino]cyclohexyl]pyrido[3,4-b]indole-1-carboxylic acid is sourced from PubChem (CID 171811741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).