N-[5-[4-fluoro-3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide

C28H28FN9O — CID 136946892

About N-[5-[4-fluoro-3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide

N-[5-[4-fluoro-3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide (PubChem CID 136946892) has the molecular formula C28H28FN9O and a molecular weight of 525.59 g/mol. Its IUPAC name is N-[5-[4-fluoro-3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[4-fluoro-3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
• PubChem CID: 136946892
• Molecular Formula: C28H28FN9O
• Molecular Weight: 525.59 g/mol
• Exact Mass: 525.24
• IUPAC Name: N-[5-[4-fluoro-3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
• SMILES: O=C(Nc1cncc(-c2ncc3[nH]nc(-c4nc5c(N6CCCCC6)cncc5[nH]4)c3c2F)c1)C1CCCC1
• InChI: InChI=1S/C28H28FN9O/c29-23-22-19(14-32-24(23)17-10-18(12-30-11-17)33-28(39)16-6-2-3-7-16)36-37-26(22)27-34-20-13-31-15-21(25(20)35-27)38-8-4-1-5-9-38/h10-16H,1-9H2,(H,33,39)(H,34,35)(H,36,37)
• InChIKey: YESLZHRRTHAXHP-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 128.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.59
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-fluoro-3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide?

The IUPAC name of N-[5-[4-fluoro-3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide (CID 136946892) is N-[5-[4-fluoro-3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide.

What is the SMILES notation for N-[5-[4-fluoro-3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide?

The canonical SMILES for N-[5-[4-fluoro-3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide is O=C(Nc1cncc(-c2ncc3[nH]nc(-c4nc5c(N6CCCCC6)cncc5[nH]4)c3c2F)c1)C1CCCC1.

What is the InChIKey of N-[5-[4-fluoro-3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide?

The InChIKey is YESLZHRRTHAXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN9O/c29-23-22-19(14-32-24(23)17-10-18(12-30-11-17)33-28(39)16-6-2-3-7-16)36-37-26(22)27-34-20-13-31-15-21(25(20)35-27)38-8-4-1-5-9-38/h10-16H,1-9H2,(H,33,39)(H,34,35)(H,36,37).

What are the key properties of N-[5-[4-fluoro-3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide?

N-[5-[4-fluoro-3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide has a molecular weight of 525.59 g/mol, XLogP of 5.22, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[4-fluoro-3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide is sourced from PubChem (CID 136946892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).