N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide

C28H23N7O2 — CID 137039832

About N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide

N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide (PubChem CID 137039832) has the molecular formula C28H23N7O2 and a molecular weight of 489.54 g/mol. Its IUPAC name is N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
• PubChem CID: 137039832
• Molecular Formula: C28H23N7O2
• Molecular Weight: 489.54 g/mol
• Exact Mass: 489.19
• IUPAC Name: N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
• SMILES: O=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccoc6)nccc5[nH]4)c3n2)c1)C1CCCC1
• InChI: InChI=1S/C28H23N7O2/c36-28(16-3-1-2-4-16)31-19-11-18(13-29-14-19)21-5-6-23-26(33-21)27(35-34-23)24-12-20-22(32-24)7-9-30-25(20)17-8-10-37-15-17/h5-16,32H,1-4H2,(H,31,36)(H,34,35)
• InChIKey: ZNCBHVIJUBSMFV-UHFFFAOYSA-N
• XLogP: 5.95
• TPSA: 125.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.54
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide?

The IUPAC name of N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide (CID 137039832) is N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide.

What is the SMILES notation for N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide?

The canonical SMILES for N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide is O=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccoc6)nccc5[nH]4)c3n2)c1)C1CCCC1.

What is the InChIKey of N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide?

The InChIKey is ZNCBHVIJUBSMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N7O2/c36-28(16-3-1-2-4-16)31-19-11-18(13-29-14-19)21-5-6-23-26(33-21)27(35-34-23)24-12-20-22(32-24)7-9-30-25(20)17-8-10-37-15-17/h5-16,32H,1-4H2,(H,31,36)(H,34,35).

What are the key properties of N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide?

N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide has a molecular weight of 489.54 g/mol, XLogP of 5.95, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide is sourced from PubChem (CID 137039832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).