2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-3-yl-1H-imidazo[4,5-c]pyridine

C27H21F2N9 — CID 136943495

About 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-3-yl-1H-imidazo[4,5-c]pyridine

2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-3-yl-1H-imidazo[4,5-c]pyridine (PubChem CID 136943495) has the molecular formula C27H21F2N9 and a molecular weight of 509.52 g/mol. Its IUPAC name is 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-3-yl-1H-imidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-3-yl-1H-imidazo[4,5-c]pyridine
• PubChem CID: 136943495
• Molecular Formula: C27H21F2N9
• Molecular Weight: 509.52 g/mol
• Exact Mass: 509.19
• IUPAC Name: 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-3-yl-1H-imidazo[4,5-c]pyridine
• SMILES: FC1(F)CCN(Cc2cncc(-c3cc4c(-c5nc6c(-c7cccnc7)nccc6[nH]5)n[nH]c4cn3)c2)C1
• InChI: InChI=1S/C27H21F2N9/c28-27(29)4-7-38(15-27)14-16-8-18(12-31-10-16)21-9-19-22(13-33-21)36-37-24(19)26-34-20-3-6-32-23(25(20)35-26)17-2-1-5-30-11-17/h1-3,5-6,8-13H,4,7,14-15H2,(H,34,35)(H,36,37)
• InChIKey: DVIREAHYQOZNCU-UHFFFAOYSA-N
• XLogP: 4.86
• TPSA: 112.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.52
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-3-yl-1H-imidazo[4,5-c]pyridine (CID 136943495) is 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-3-yl-1H-imidazo[4,5-c]pyridine.

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

The canonical SMILES for 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-3-yl-1H-imidazo[4,5-c]pyridine is FC1(F)CCN(Cc2cncc(-c3cc4c(-c5nc6c(-c7cccnc7)nccc6[nH]5)n[nH]c4cn3)c2)C1.

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

The InChIKey is DVIREAHYQOZNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F2N9/c28-27(29)4-7-38(15-27)14-16-8-18(12-31-10-16)21-9-19-22(13-33-21)36-37-24(19)26-34-20-3-6-32-23(25(20)35-26)17-2-1-5-30-11-17/h1-3,5-6,8-13H,4,7,14-15H2,(H,34,35)(H,36,37).

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

2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-3-yl-1H-imidazo[4,5-c]pyridine has a molecular weight of 509.52 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-3-yl-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136943495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).