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

C28H21F3N8 — CID 137135204

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

2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-fluoro-1H-indazol-3-yl]-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine (PubChem CID 137135204) has the molecular formula C28H21F3N8 and a molecular weight of 526.53 g/mol. Its IUPAC name is 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-fluoro-1H-indazol-3-yl]-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

• Compound Name: 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-fluoro-1H-indazol-3-yl]-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine
• PubChem CID: 137135204
• Molecular Formula: C28H21F3N8
• Molecular Weight: 526.53 g/mol
• Exact Mass: 526.18
• IUPAC Name: 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-fluoro-1H-indazol-3-yl]-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine
• SMILES: Fc1c(-c2cncc(CN3CCC(F)(F)C3)c2)ccc2[nH]nc(-c3nc4nccc(-c5cccnc5)c4[nH]3)c12
• InChI: InChI=1S/C28H21F3N8/c29-23-19(18-10-16(11-33-13-18)14-39-9-6-28(30,31)15-39)3-4-21-22(23)25(38-37-21)27-35-24-20(5-8-34-26(24)36-27)17-2-1-7-32-12-17/h1-5,7-8,10-13H,6,9,14-15H2,(H,37,38)(H,34,35,36)
• InChIKey: RQWBLOZGDVYZQH-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 99.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.53
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-fluoro-1H-indazol-3-yl]-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine (CID 137135204) is 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-fluoro-1H-indazol-3-yl]-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine.

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

The canonical SMILES for 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-fluoro-1H-indazol-3-yl]-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine is Fc1c(-c2cncc(CN3CCC(F)(F)C3)c2)ccc2[nH]nc(-c3nc4nccc(-c5cccnc5)c4[nH]3)c12.

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

The InChIKey is RQWBLOZGDVYZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F3N8/c29-23-19(18-10-16(11-33-13-18)14-39-9-6-28(30,31)15-39)3-4-21-22(23)25(38-37-21)27-35-24-20(5-8-34-26(24)36-27)17-2-1-7-32-12-17/h1-5,7-8,10-13H,6,9,14-15H2,(H,37,38)(H,34,35,36).

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

2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-fluoro-1H-indazol-3-yl]-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine has a molecular weight of 526.53 g/mol, XLogP of 5.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-fluoro-1H-indazol-3-yl]-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 137135204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).