N-[5-[3-(4-pyridin-4-yl-1H-cyclohepta[b]pyrrol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide

C31H26N6O — CID 176530386

About N-[5-[3-(4-pyridin-4-yl-1H-cyclohepta[b]pyrrol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide

N-[5-[3-(4-pyridin-4-yl-1H-cyclohepta[b]pyrrol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide (PubChem CID 176530386) has the molecular formula C31H26N6O and a molecular weight of 498.59 g/mol. Its IUPAC name is N-[5-[3-(4-pyridin-4-yl-1H-cyclohepta[b]pyrrol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide.

Molecular Properties

• Compound Name: N-[5-[3-(4-pyridin-4-yl-1H-cyclohepta[b]pyrrol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide
• PubChem CID: 176530386
• Molecular Formula: C31H26N6O
• Molecular Weight: 498.59 g/mol
• Exact Mass: 498.22
• IUPAC Name: N-[5-[3-(4-pyridin-4-yl-1H-cyclohepta[b]pyrrol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide
• SMILES: CCCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c([nH]4)C=C=CC=C5c4ccncc4)c3c2)c1
• InChI: InChI=1S/C31H26N6O/c1-2-3-8-30(38)34-23-15-22(18-33-19-23)21-9-10-28-26(16-21)31(37-36-28)29-17-25-24(20-11-13-32-14-12-20)6-4-5-7-27(25)35-29/h4,6-7,9-19,35H,2-3,8H2,1H3,(H,34,38)(H,36,37)
• InChIKey: HHPZECQPEFLWSD-UHFFFAOYSA-N
• XLogP: 6.76
• TPSA: 99.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.59
LogP ≤ 5	6.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(4-pyridin-4-yl-1H-cyclohepta[b]pyrrol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide?

The IUPAC name of N-[5-[3-(4-pyridin-4-yl-1H-cyclohepta[b]pyrrol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide (CID 176530386) is N-[5-[3-(4-pyridin-4-yl-1H-cyclohepta[b]pyrrol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide.

What is the SMILES notation for N-[5-[3-(4-pyridin-4-yl-1H-cyclohepta[b]pyrrol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide?

The canonical SMILES for N-[5-[3-(4-pyridin-4-yl-1H-cyclohepta[b]pyrrol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide is CCCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c([nH]4)C=C=CC=C5c4ccncc4)c3c2)c1.

What is the InChIKey of N-[5-[3-(4-pyridin-4-yl-1H-cyclohepta[b]pyrrol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide?

The InChIKey is HHPZECQPEFLWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N6O/c1-2-3-8-30(38)34-23-15-22(18-33-19-23)21-9-10-28-26(16-21)31(37-36-28)29-17-25-24(20-11-13-32-14-12-20)6-4-5-7-27(25)35-29/h4,6-7,9-19,35H,2-3,8H2,1H3,(H,34,38)(H,36,37).

What are the key properties of N-[5-[3-(4-pyridin-4-yl-1H-cyclohepta[b]pyrrol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide?

N-[5-[3-(4-pyridin-4-yl-1H-cyclohepta[b]pyrrol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide has a molecular weight of 498.59 g/mol, XLogP of 6.76, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-(4-pyridin-4-yl-1H-cyclohepta[b]pyrrol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide is sourced from PubChem (CID 176530386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).