3-[7-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine

C31H29FN8 — CID 145037228

About 3-[7-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine

3-[7-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 145037228) has the molecular formula C31H29FN8 and a molecular weight of 532.63 g/mol. Its IUPAC name is 3-[7-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

• Compound Name: 3-[7-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
• PubChem CID: 145037228
• Molecular Formula: C31H29FN8
• Molecular Weight: 532.63 g/mol
• Exact Mass: 532.25
• IUPAC Name: 3-[7-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
• SMILES: Cc1cncc(-c2cc3c(-c4nc5c(-c6cc(F)cc(CCCN7CCCC7)c6)cncc5[nH]4)n[nH]c3cn2)c1
• InChI: InChI=1S/C31H29FN8/c1-19-9-22(15-33-14-19)26-13-24-27(18-35-26)38-39-30(24)31-36-28-17-34-16-25(29(28)37-31)21-10-20(11-23(32)12-21)5-4-8-40-6-2-3-7-40/h9-18H,2-8H2,1H3,(H,36,37)(H,38,39)
• InChIKey: ZTKVJSDBSOQSNT-UHFFFAOYSA-N
• XLogP: 6.10
• TPSA: 99.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.63
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[7-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?

The IUPAC name of 3-[7-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine (CID 145037228) is 3-[7-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine.

What is the SMILES notation for 3-[7-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?

The canonical SMILES for 3-[7-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine is Cc1cncc(-c2cc3c(-c4nc5c(-c6cc(F)cc(CCCN7CCCC7)c6)cncc5[nH]4)n[nH]c3cn2)c1.

What is the InChIKey of 3-[7-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?

The InChIKey is ZTKVJSDBSOQSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29FN8/c1-19-9-22(15-33-14-19)26-13-24-27(18-35-26)38-39-30(24)31-36-28-17-34-16-25(29(28)37-31)21-10-20(11-23(32)12-21)5-4-8-40-6-2-3-7-40/h9-18H,2-8H2,1H3,(H,36,37)(H,38,39).

What are the key properties of 3-[7-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?

3-[7-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 532.63 g/mol, XLogP of 6.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 145037228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).