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

C29H24F2N6S — CID 162605469

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

2-[5-[3-[(3,3-difluoropyrrolidin-1-yl)methyl]-5-methylphenyl]-1H-indazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine (PubChem CID 162605469) has the molecular formula C29H24F2N6S and a molecular weight of 526.62 g/mol. Its IUPAC name is 2-[5-[3-[(3,3-difluoropyrrolidin-1-yl)methyl]-5-methylphenyl]-1H-indazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 2-[5-[3-[(3,3-difluoropyrrolidin-1-yl)methyl]-5-methylphenyl]-1H-indazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine
• PubChem CID: 162605469
• Molecular Formula: C29H24F2N6S
• Molecular Weight: 526.62 g/mol
• Exact Mass: 526.18
• IUPAC Name: 2-[5-[3-[(3,3-difluoropyrrolidin-1-yl)methyl]-5-methylphenyl]-1H-indazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine
• SMILES: Cc1cc(CN2CCC(F)(F)C2)cc(-c2ccc3[nH]nc(-c4nc5c(-c6cccs6)cncc5[nH]4)c3c2)c1
• InChI: InChI=1S/C29H24F2N6S/c1-17-9-18(15-37-7-6-29(30,31)16-37)11-20(10-17)19-4-5-23-21(12-19)27(36-35-23)28-33-24-14-32-13-22(26(24)34-28)25-3-2-8-38-25/h2-5,8-14H,6-7,15-16H2,1H3,(H,33,34)(H,35,36)
• InChIKey: CSCGBBYTOILGEW-UHFFFAOYSA-N
• XLogP: 7.05
• TPSA: 73.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.62
LogP ≤ 5	7.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[5-[3-[(3,3-difluoropyrrolidin-1-yl)methyl]-5-methylphenyl]-1H-indazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine (CID 162605469) is 2-[5-[3-[(3,3-difluoropyrrolidin-1-yl)methyl]-5-methylphenyl]-1H-indazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine.

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

The canonical SMILES for 2-[5-[3-[(3,3-difluoropyrrolidin-1-yl)methyl]-5-methylphenyl]-1H-indazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine is Cc1cc(CN2CCC(F)(F)C2)cc(-c2ccc3[nH]nc(-c4nc5c(-c6cccs6)cncc5[nH]4)c3c2)c1.

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

The InChIKey is CSCGBBYTOILGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F2N6S/c1-17-9-18(15-37-7-6-29(30,31)16-37)11-20(10-17)19-4-5-23-21(12-19)27(36-35-23)28-33-24-14-32-13-22(26(24)34-28)25-3-2-8-38-25/h2-5,8-14H,6-7,15-16H2,1H3,(H,33,34)(H,35,36).

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

2-[5-[3-[(3,3-difluoropyrrolidin-1-yl)methyl]-5-methylphenyl]-1H-indazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine has a molecular weight of 526.62 g/mol, XLogP of 7.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[3-[(3,3-difluoropyrrolidin-1-yl)methyl]-5-methylphenyl]-1H-indazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 162605469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).