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

C32H30FN7 — CID 145033082

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

3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 145033082) has the molecular formula C32H30FN7 and a molecular weight of 531.64 g/mol. Its IUPAC name is 3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

• Compound Name: 3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
• PubChem CID: 145033082
• Molecular Formula: C32H30FN7
• Molecular Weight: 531.64 g/mol
• Exact Mass: 531.25
• IUPAC Name: 3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
• SMILES: Cc1ccncc1-c1cc2c(-c3nc4c(-c5cc(F)cc(CCCN6CCCC6)c5)cccc4[nH]3)n[nH]c2cn1
• InChI: InChI=1S/C32H30FN7/c1-20-9-10-34-18-26(20)28-17-25-29(19-35-28)38-39-31(25)32-36-27-8-4-7-24(30(27)37-32)22-14-21(15-23(33)16-22)6-5-13-40-11-2-3-12-40/h4,7-10,14-19H,2-3,5-6,11-13H2,1H3,(H,36,37)(H,38,39)
• InChIKey: XOUQTHMDRPPXPT-UHFFFAOYSA-N
• XLogP: 6.71
• TPSA: 86.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.64
LogP ≤ 5	6.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine (CID 145033082) is 3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine.

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

The canonical SMILES for 3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine is Cc1ccncc1-c1cc2c(-c3nc4c(-c5cc(F)cc(CCCN6CCCC6)c5)cccc4[nH]3)n[nH]c2cn1.

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

The InChIKey is XOUQTHMDRPPXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30FN7/c1-20-9-10-34-18-26(20)28-17-25-29(19-35-28)38-39-31(25)32-36-27-8-4-7-24(30(27)37-32)22-14-21(15-23(33)16-22)6-5-13-40-11-2-3-12-40/h4,7-10,14-19H,2-3,5-6,11-13H2,1H3,(H,36,37)(H,38,39).

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

3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 531.64 g/mol, XLogP of 6.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 145033082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).