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

C37H28FN7O4 — CID 171811655

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

9-[4-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-7-carbonyl]amino]piperidine-1-carbonyl]pyrido[3,4-b]indole-1-carboxylic acid (PubChem CID 171811655) has the molecular formula C37H28FN7O4 and a molecular weight of 653.67 g/mol. Its IUPAC name is 9-[4-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-7-carbonyl]amino]piperidine-1-carbonyl]pyrido[3,4-b]indole-1-carboxylic acid.

Molecular Properties

• Compound Name: 9-[4-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-7-carbonyl]amino]piperidine-1-carbonyl]pyrido[3,4-b]indole-1-carboxylic acid
• PubChem CID: 171811655
• Molecular Formula: C37H28FN7O4
• Molecular Weight: 653.67 g/mol
• Exact Mass: 653.22
• IUPAC Name: 9-[4-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-7-carbonyl]amino]piperidine-1-carbonyl]pyrido[3,4-b]indole-1-carboxylic acid
• SMILES: O=C(O)c1nccc2c3ccccc3n(C(=O)N3CCC(NC(=O)c4cccc5c(-c6ccncc6)c(-c6ccc(F)cc6)nn45)CC3)c12
• InChI: InChI=1S/C37H28FN7O4/c38-24-10-8-23(9-11-24)32-31(22-12-17-39-18-13-22)29-6-3-7-30(45(29)42-32)35(46)41-25-15-20-43(21-16-25)37(49)44-28-5-2-1-4-26(28)27-14-19-40-33(34(27)44)36(47)48/h1-14,17-19,25H,15-16,20-21H2,(H,41,46)(H,47,48)
• InChIKey: IZHHLBBGWYTMIE-UHFFFAOYSA-N
• XLogP: 6.27
• TPSA: 134.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	653.67
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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]piperidine-1-carbonyl]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]piperidine-1-carbonyl]pyrido[3,4-b]indole-1-carboxylic acid (CID 171811655) is 9-[4-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-7-carbonyl]amino]piperidine-1-carbonyl]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]piperidine-1-carbonyl]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]piperidine-1-carbonyl]pyrido[3,4-b]indole-1-carboxylic acid is O=C(O)c1nccc2c3ccccc3n(C(=O)N3CCC(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]piperidine-1-carbonyl]pyrido[3,4-b]indole-1-carboxylic acid?

The InChIKey is IZHHLBBGWYTMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28FN7O4/c38-24-10-8-23(9-11-24)32-31(22-12-17-39-18-13-22)29-6-3-7-30(45(29)42-32)35(46)41-25-15-20-43(21-16-25)37(49)44-28-5-2-1-4-26(28)27-14-19-40-33(34(27)44)36(47)48/h1-14,17-19,25H,15-16,20-21H2,(H,41,46)(H,47,48).

What are the key properties of 9-[4-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-7-carbonyl]amino]piperidine-1-carbonyl]pyrido[3,4-b]indole-1-carboxylic acid?

9-[4-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-7-carbonyl]amino]piperidine-1-carbonyl]pyrido[3,4-b]indole-1-carboxylic acid has a molecular weight of 653.67 g/mol, XLogP of 6.27, 5 rotatable bonds, 2 hydrogen bond donors, and 8 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]piperidine-1-carbonyl]pyrido[3,4-b]indole-1-carboxylic acid is sourced from PubChem (CID 171811655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).