4-acetyl-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-2-carboxamide

C28H25N5O3 — CID 70112343

About 4-acetyl-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-2-carboxamide

4-acetyl-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-2-carboxamide (PubChem CID 70112343) has the molecular formula C28H25N5O3 and a molecular weight of 479.54 g/mol. Its IUPAC name is 4-acetyl-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 4-acetyl-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-2-carboxamide
• PubChem CID: 70112343
• Molecular Formula: C28H25N5O3
• Molecular Weight: 479.54 g/mol
• Exact Mass: 479.20
• IUPAC Name: 4-acetyl-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-2-carboxamide
• SMILES: CC(=O)c1cccc2[nH]c(C(=O)N(C)C)c(C(=O)c3ccc(Cn4c(C)nc5cnccc54)cc3)c12
• InChI: InChI=1S/C28H25N5O3/c1-16(34)20-6-5-7-21-24(20)25(26(31-21)28(36)32(3)4)27(35)19-10-8-18(9-11-19)15-33-17(2)30-22-14-29-13-12-23(22)33/h5-14,31H,15H2,1-4H3
• InChIKey: FSROKKMMFNGQQZ-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 100.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.54
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-2-carboxamide?

The IUPAC name of 4-acetyl-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-2-carboxamide (CID 70112343) is 4-acetyl-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-2-carboxamide.

What is the SMILES notation for 4-acetyl-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-2-carboxamide?

The canonical SMILES for 4-acetyl-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-2-carboxamide is CC(=O)c1cccc2[nH]c(C(=O)N(C)C)c(C(=O)c3ccc(Cn4c(C)nc5cnccc54)cc3)c12.

What is the InChIKey of 4-acetyl-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-2-carboxamide?

The InChIKey is FSROKKMMFNGQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O3/c1-16(34)20-6-5-7-21-24(20)25(26(31-21)28(36)32(3)4)27(35)19-10-8-18(9-11-19)15-33-17(2)30-22-14-29-13-12-23(22)33/h5-14,31H,15H2,1-4H3.

What are the key properties of 4-acetyl-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-2-carboxamide?

4-acetyl-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-2-carboxamide has a molecular weight of 479.54 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-acetyl-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 70112343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).