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

C30H25N7O — CID 137038184

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

N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide (PubChem CID 137038184) has the molecular formula C30H25N7O and a molecular weight of 499.58 g/mol. Its IUPAC name is N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide
• PubChem CID: 137038184
• Molecular Formula: C30H25N7O
• Molecular Weight: 499.58 g/mol
• Exact Mass: 499.21
• IUPAC Name: N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide
• SMILES: O=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccccn6)cncc5[nH]4)c3c2)c1)C1CCCC1
• InChI: InChI=1S/C30H25N7O/c38-30(18-5-1-2-6-18)34-21-11-20(14-31-15-21)19-8-9-26-23(12-19)29(37-36-26)27-13-22-24(16-32-17-28(22)35-27)25-7-3-4-10-33-25/h3-4,7-18,35H,1-2,5-6H2,(H,34,38)(H,36,37)
• InChIKey: GKPRSSLEARPMTL-UHFFFAOYSA-N
• XLogP: 6.36
• TPSA: 112.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.58
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide (CID 137038184) is N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide.

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

The canonical SMILES for N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide is O=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccccn6)cncc5[nH]4)c3c2)c1)C1CCCC1.

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

The InChIKey is GKPRSSLEARPMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N7O/c38-30(18-5-1-2-6-18)34-21-11-20(14-31-15-21)19-8-9-26-23(12-19)29(37-36-26)27-13-22-24(16-32-17-28(22)35-27)25-7-3-4-10-33-25/h3-4,7-18,35H,1-2,5-6H2,(H,34,38)(H,36,37).

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

N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide has a molecular weight of 499.58 g/mol, XLogP of 6.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide is sourced from PubChem (CID 137038184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).