2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-piperidin-1-yl-3H-imidazo[4,5-c]pyridine

C27H27F2N9 — CID 137143006

About 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-piperidin-1-yl-3H-imidazo[4,5-c]pyridine

2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-piperidin-1-yl-3H-imidazo[4,5-c]pyridine (PubChem CID 137143006) has the molecular formula C27H27F2N9 and a molecular weight of 515.57 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]-7-piperidin-1-yl-3H-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]-7-piperidin-1-yl-3H-imidazo[4,5-c]pyridine
• PubChem CID: 137143006
• Molecular Formula: C27H27F2N9
• Molecular Weight: 515.57 g/mol
• Exact Mass: 515.24
• IUPAC Name: 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-piperidin-1-yl-3H-imidazo[4,5-c]pyridine
• SMILES: FC1(F)CCN(Cc2cncc(-c3cc4c(-c5nc6c(N7CCCCC7)cncc6[nH]5)n[nH]c4cn3)c2)C1
• InChI: InChI=1S/C27H27F2N9/c28-27(29)4-7-37(16-27)15-17-8-18(11-30-10-17)20-9-19-21(13-32-20)35-36-24(19)26-33-22-12-31-14-23(25(22)34-26)38-5-2-1-3-6-38/h8-14H,1-7,15-16H2,(H,33,34)(H,35,36)
• InChIKey: SJBQBRSCJCHBQL-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 102.51 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	515.57
LogP ≤ 5	4.79
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]-7-piperidin-1-yl-3H-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]-7-piperidin-1-yl-3H-imidazo[4,5-c]pyridine (CID 137143006) is 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-piperidin-1-yl-3H-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]-7-piperidin-1-yl-3H-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]-7-piperidin-1-yl-3H-imidazo[4,5-c]pyridine is FC1(F)CCN(Cc2cncc(-c3cc4c(-c5nc6c(N7CCCCC7)cncc6[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]-7-piperidin-1-yl-3H-imidazo[4,5-c]pyridine?

The InChIKey is SJBQBRSCJCHBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F2N9/c28-27(29)4-7-37(16-27)15-17-8-18(11-30-10-17)20-9-19-21(13-32-20)35-36-24(19)26-33-22-12-31-14-23(25(22)34-26)38-5-2-1-3-6-38/h8-14H,1-7,15-16H2,(H,33,34)(H,35,36).

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]-7-piperidin-1-yl-3H-imidazo[4,5-c]pyridine?

2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-piperidin-1-yl-3H-imidazo[4,5-c]pyridine has a molecular weight of 515.57 g/mol, XLogP of 4.79, 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]-7-piperidin-1-yl-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 137143006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).