5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(4-piperidin-1-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine

C29H29F2N7 — CID 137114699

About 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(4-piperidin-1-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine

5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(4-piperidin-1-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137114699) has the molecular formula C29H29F2N7 and a molecular weight of 513.60 g/mol. Its IUPAC name is 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(4-piperidin-1-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

• Compound Name: 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(4-piperidin-1-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine
• PubChem CID: 137114699
• Molecular Formula: C29H29F2N7
• Molecular Weight: 513.60 g/mol
• Exact Mass: 513.25
• IUPAC Name: 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(4-piperidin-1-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine
• SMILES: FC1(F)CCN(Cc2cncc(-c3ccc4[nH]nc(-c5cc6c(N7CCCCC7)cccc6[nH]5)c4n3)c2)C1
• InChI: InChI=1S/C29H29F2N7/c30-29(31)9-12-37(18-29)17-19-13-20(16-32-15-19)22-7-8-24-27(34-22)28(36-35-24)25-14-21-23(33-25)5-4-6-26(21)38-10-2-1-3-11-38/h4-8,13-16,33H,1-3,9-12,17-18H2,(H,35,36)
• InChIKey: LXPNVMOWYCLUGG-UHFFFAOYSA-N
• XLogP: 6.00
• TPSA: 76.73 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	513.60
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(4-piperidin-1-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine (CID 137114699) is 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(4-piperidin-1-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine.

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

The canonical SMILES for 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(4-piperidin-1-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine is FC1(F)CCN(Cc2cncc(-c3ccc4[nH]nc(-c5cc6c(N7CCCCC7)cccc6[nH]5)c4n3)c2)C1.

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

The InChIKey is LXPNVMOWYCLUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F2N7/c30-29(31)9-12-37(18-29)17-19-13-20(16-32-15-19)22-7-8-24-27(34-22)28(36-35-24)25-14-21-23(33-25)5-4-6-26(21)38-10-2-1-3-11-38/h4-8,13-16,33H,1-3,9-12,17-18H2,(H,35,36).

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

5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(4-piperidin-1-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 513.60 g/mol, XLogP of 6.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(4-piperidin-1-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137114699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).