N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide

C29H26N8O — CID 137115170

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

N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide (PubChem CID 137115170) has the molecular formula C29H26N8O and a molecular weight of 502.58 g/mol. Its IUPAC name is N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
• PubChem CID: 137115170
• Molecular Formula: C29H26N8O
• Molecular Weight: 502.58 g/mol
• Exact Mass: 502.22
• IUPAC Name: N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
• SMILES: Cc1cn(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)C7CCCC7)c6)nc45)cc23)cn1
• InChI: InChI=1S/C29H26N8O/c1-17-15-37(16-31-17)26-8-4-7-23-21(26)12-25(33-23)28-27-24(35-36-28)10-9-22(34-27)19-11-20(14-30-13-19)32-29(38)18-5-2-3-6-18/h4,7-16,18,33H,2-3,5-6H2,1H3,(H,32,38)(H,35,36)
• InChIKey: JBQPMCJBCXWVRF-UHFFFAOYSA-N
• XLogP: 5.79
• TPSA: 117.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.58
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide (CID 137115170) is N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide.

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

The canonical SMILES for N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide is Cc1cn(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)C7CCCC7)c6)nc45)cc23)cn1.

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

The InChIKey is JBQPMCJBCXWVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N8O/c1-17-15-37(16-31-17)26-8-4-7-23-21(26)12-25(33-23)28-27-24(35-36-28)10-9-22(34-27)19-11-20(14-30-13-19)32-29(38)18-5-2-3-6-18/h4,7-16,18,33H,2-3,5-6H2,1H3,(H,32,38)(H,35,36).

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

N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide has a molecular weight of 502.58 g/mol, XLogP of 5.79, 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-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide is sourced from PubChem (CID 137115170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).