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

C30H24N8O3 — CID 137042585

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

N-[5-[3-[7-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide (PubChem CID 137042585) has the molecular formula C30H24N8O3 and a molecular weight of 544.58 g/mol. Its IUPAC name is N-[5-[3-[7-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[3-[7-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
• PubChem CID: 137042585
• Molecular Formula: C30H24N8O3
• Molecular Weight: 544.58 g/mol
• Exact Mass: 544.20
• IUPAC Name: N-[5-[3-[7-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
• SMILES: O=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccc7c(c6)OCO7)c5[nH]4)c3n2)c1)C1CCCC1
• InChI: InChI=1S/C30H24N8O3/c39-30(16-3-1-2-4-16)33-19-11-18(13-31-14-19)21-6-7-22-26(34-21)27(38-37-22)29-35-25-20(9-10-32-28(25)36-29)17-5-8-23-24(12-17)41-15-40-23/h5-14,16H,1-4,15H2,(H,33,39)(H,37,38)(H,32,35,36)
• InChIKey: ITXXTLZQGAKTIP-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 143.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	544.58
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[5-[3-[7-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide (CID 137042585) is N-[5-[3-[7-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide.

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

The canonical SMILES for N-[5-[3-[7-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide is O=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccc7c(c6)OCO7)c5[nH]4)c3n2)c1)C1CCCC1.

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

The InChIKey is ITXXTLZQGAKTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N8O3/c39-30(16-3-1-2-4-16)33-19-11-18(13-31-14-19)21-6-7-22-26(34-21)27(38-37-22)29-35-25-20(9-10-32-28(25)36-29)17-5-8-23-24(12-17)41-15-40-23/h5-14,16H,1-4,15H2,(H,33,39)(H,37,38)(H,32,35,36).

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

N-[5-[3-[7-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide has a molecular weight of 544.58 g/mol, XLogP of 5.48, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[7-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide is sourced from PubChem (CID 137042585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).