N-[3-methyl-5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]phenyl]pentanamide

C30H34N8O — CID 137300324

About N-[3-methyl-5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]phenyl]pentanamide

N-[3-methyl-5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]phenyl]pentanamide (PubChem CID 137300324) has the molecular formula C30H34N8O and a molecular weight of 522.66 g/mol. Its IUPAC name is N-[3-methyl-5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]phenyl]pentanamide.

Molecular Properties

• Compound Name: N-[3-methyl-5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]phenyl]pentanamide
• PubChem CID: 137300324
• Molecular Formula: C30H34N8O
• Molecular Weight: 522.66 g/mol
• Exact Mass: 522.29
• IUPAC Name: N-[3-methyl-5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]phenyl]pentanamide
• SMILES: CCCCC(=O)Nc1cc(C)cc(-c2ccc3[nH]nc(-c4nc5c(N6CCN(C)CC6)cncc5[nH]4)c3c2)c1
• InChI: InChI=1S/C30H34N8O/c1-4-5-6-27(39)32-22-14-19(2)13-21(15-22)20-7-8-24-23(16-20)28(36-35-24)30-33-25-17-31-18-26(29(25)34-30)38-11-9-37(3)10-12-38/h7-8,13-18H,4-6,9-12H2,1-3H3,(H,32,39)(H,33,34)(H,35,36)
• InChIKey: MNRMFQLXOOTICR-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 105.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.66
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]phenyl]pentanamide?

The IUPAC name of N-[3-methyl-5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]phenyl]pentanamide (CID 137300324) is N-[3-methyl-5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]phenyl]pentanamide.

What is the SMILES notation for N-[3-methyl-5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]phenyl]pentanamide?

The canonical SMILES for N-[3-methyl-5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]phenyl]pentanamide is CCCCC(=O)Nc1cc(C)cc(-c2ccc3[nH]nc(-c4nc5c(N6CCN(C)CC6)cncc5[nH]4)c3c2)c1.

What is the InChIKey of N-[3-methyl-5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]phenyl]pentanamide?

The InChIKey is MNRMFQLXOOTICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N8O/c1-4-5-6-27(39)32-22-14-19(2)13-21(15-22)20-7-8-24-23(16-20)28(36-35-24)30-33-25-17-31-18-26(29(25)34-30)38-11-9-37(3)10-12-38/h7-8,13-18H,4-6,9-12H2,1-3H3,(H,32,39)(H,33,34)(H,35,36).

What are the key properties of N-[3-methyl-5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]phenyl]pentanamide?

N-[3-methyl-5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]phenyl]pentanamide has a molecular weight of 522.66 g/mol, XLogP of 5.36, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-methyl-5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]phenyl]pentanamide is sourced from PubChem (CID 137300324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).