N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide

C28H25N7OS — CID 136935464

About N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide

N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide (PubChem CID 136935464) has the molecular formula C28H25N7OS and a molecular weight of 507.62 g/mol. Its IUPAC name is N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide.

Molecular Properties

• Compound Name: N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
• PubChem CID: 136935464
• Molecular Formula: C28H25N7OS
• Molecular Weight: 507.62 g/mol
• Exact Mass: 507.18
• IUPAC Name: N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
• SMILES: CCCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccc(C)s6)nccc5[nH]4)c3c2)c1
• InChI: InChI=1S/C28H25N7OS/c1-3-4-5-24(36)31-19-12-18(14-29-15-19)17-7-8-21-20(13-17)25(35-34-21)28-32-22-10-11-30-27(26(22)33-28)23-9-6-16(2)37-23/h6-15H,3-5H2,1-2H3,(H,31,36)(H,32,33)(H,34,35)
• InChIKey: PEZNDVILZOXGBO-UHFFFAOYSA-N
• XLogP: 6.73
• TPSA: 112.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.62
LogP ≤ 5	6.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide (CID 136935464) is N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide.

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

The canonical SMILES for N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide is CCCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccc(C)s6)nccc5[nH]4)c3c2)c1.

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

The InChIKey is PEZNDVILZOXGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N7OS/c1-3-4-5-24(36)31-19-12-18(14-29-15-19)17-7-8-21-20(13-17)25(35-34-21)28-32-22-10-11-30-27(26(22)33-28)23-9-6-16(2)37-23/h6-15H,3-5H2,1-2H3,(H,31,36)(H,32,33)(H,34,35).

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

N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide has a molecular weight of 507.62 g/mol, XLogP of 6.73, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide is sourced from PubChem (CID 136935464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).