2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-7-fluoro-2H-indazol-3-yl]-4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridine

C29H21F4N7 — CID 136935593

About 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-7-fluoro-2H-indazol-3-yl]-4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridine

2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-7-fluoro-2H-indazol-3-yl]-4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridine (PubChem CID 136935593) has the molecular formula C29H21F4N7 and a molecular weight of 543.53 g/mol. Its IUPAC name is 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-7-fluoro-2H-indazol-3-yl]-4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-7-fluoro-2H-indazol-3-yl]-4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridine
• PubChem CID: 136935593
• Molecular Formula: C29H21F4N7
• Molecular Weight: 543.53 g/mol
• Exact Mass: 543.18
• IUPAC Name: 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-7-fluoro-2H-indazol-3-yl]-4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridine
• SMILES: Fc1ccccc1-c1nccc2[nH]c(-c3[nH]nc4c(F)cc(-c5cncc(CN6CCC(F)(F)C6)c5)cc34)nc12
• InChI: InChI=1S/C29H21F4N7/c30-21-4-2-1-3-19(21)25-27-23(5-7-35-25)36-28(37-27)26-20-10-17(11-22(31)24(20)38-39-26)18-9-16(12-34-13-18)14-40-8-6-29(32,33)15-40/h1-5,7,9-13H,6,8,14-15H2,(H,36,37)(H,38,39)
• InChIKey: CHLAIYYNMFSAST-UHFFFAOYSA-N
• XLogP: 6.35
• TPSA: 86.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	543.53
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-7-fluoro-2H-indazol-3-yl]-4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridine?

The IUPAC name of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-7-fluoro-2H-indazol-3-yl]-4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridine (CID 136935593) is 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-7-fluoro-2H-indazol-3-yl]-4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridine.

What is the SMILES notation for 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-7-fluoro-2H-indazol-3-yl]-4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridine?

The canonical SMILES for 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-7-fluoro-2H-indazol-3-yl]-4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridine is Fc1ccccc1-c1nccc2[nH]c(-c3[nH]nc4c(F)cc(-c5cncc(CN6CCC(F)(F)C6)c5)cc34)nc12.

What is the InChIKey of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-7-fluoro-2H-indazol-3-yl]-4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridine?

The InChIKey is CHLAIYYNMFSAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21F4N7/c30-21-4-2-1-3-19(21)25-27-23(5-7-35-25)36-28(37-27)26-20-10-17(11-22(31)24(20)38-39-26)18-9-16(12-34-13-18)14-40-8-6-29(32,33)15-40/h1-5,7,9-13H,6,8,14-15H2,(H,36,37)(H,38,39).

What are the key properties of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-7-fluoro-2H-indazol-3-yl]-4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridine?

2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-7-fluoro-2H-indazol-3-yl]-4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridine has a molecular weight of 543.53 g/mol, XLogP of 6.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-7-fluoro-2H-indazol-3-yl]-4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136935593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).