N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide

C29H27N7O — CID 137116187

About N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide

N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide (PubChem CID 137116187) has the molecular formula C29H27N7O and a molecular weight of 489.58 g/mol. Its IUPAC name is N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide.

Molecular Properties

• Compound Name: N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
• PubChem CID: 137116187
• Molecular Formula: C29H27N7O
• Molecular Weight: 489.58 g/mol
• Exact Mass: 489.23
• IUPAC Name: N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
• SMILES: CCCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-n6cnc(C)c6)cccc5[nH]4)c3c2)c1
• InChI: InChI=1S/C29H27N7O/c1-3-4-8-28(37)32-21-11-20(14-30-15-21)19-9-10-25-23(12-19)29(35-34-25)26-13-22-24(33-26)6-5-7-27(22)36-16-18(2)31-17-36/h5-7,9-17,33H,3-4,8H2,1-2H3,(H,32,37)(H,34,35)
• InChIKey: SURFOMNYIJEWLM-UHFFFAOYSA-N
• XLogP: 6.40
• TPSA: 104.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.58
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide?

The IUPAC name of N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide (CID 137116187) is N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide.

What is the SMILES notation for N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide?

The canonical SMILES for N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide is CCCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-n6cnc(C)c6)cccc5[nH]4)c3c2)c1.

What is the InChIKey of N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide?

The InChIKey is SURFOMNYIJEWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N7O/c1-3-4-8-28(37)32-21-11-20(14-30-15-21)19-9-10-25-23(12-19)29(35-34-25)26-13-22-24(33-26)6-5-7-27(22)36-16-18(2)31-17-36/h5-7,9-17,33H,3-4,8H2,1-2H3,(H,32,37)(H,34,35).

What are the key properties of N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide?

N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide has a molecular weight of 489.58 g/mol, XLogP of 6.40, 7 rotatable bonds, 3 hydrogen bond donors, and 5 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-indazol-5-yl]-3-pyridinyl]pentanamide is sourced from PubChem (CID 137116187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).