3-[1-(3-cyanophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide

C27H22N6OS — CID 24954792

About 3-[1-(3-cyanophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide

3-[1-(3-cyanophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 24954792) has the molecular formula C27H22N6OS and a molecular weight of 478.58 g/mol. Its IUPAC name is 3-[1-(3-cyanophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

• Compound Name: 3-[1-(3-cyanophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide
• PubChem CID: 24954792
• Molecular Formula: C27H22N6OS
• Molecular Weight: 478.58 g/mol
• Exact Mass: 478.16
• IUPAC Name: 3-[1-(3-cyanophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide
• SMILES: CC(C)(C(=O)Nc1nncs1)C(c1ccccc1)c1ccc2c(-c3cccc(C#N)c3)ncn2c1
• InChI: InChI=1S/C27H22N6OS/c1-27(2,25(34)31-26-32-30-17-35-26)23(19-8-4-3-5-9-19)21-11-12-22-24(29-16-33(22)15-21)20-10-6-7-18(13-20)14-28/h3-13,15-17,23H,1-2H3,(H,31,32,34)
• InChIKey: AHBILQJMYIFOKN-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 95.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.58
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-cyanophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide?

The IUPAC name of 3-[1-(3-cyanophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide (CID 24954792) is 3-[1-(3-cyanophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide.

What is the SMILES notation for 3-[1-(3-cyanophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide?

The canonical SMILES for 3-[1-(3-cyanophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide is CC(C)(C(=O)Nc1nncs1)C(c1ccccc1)c1ccc2c(-c3cccc(C#N)c3)ncn2c1.

What is the InChIKey of 3-[1-(3-cyanophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide?

The InChIKey is AHBILQJMYIFOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N6OS/c1-27(2,25(34)31-26-32-30-17-35-26)23(19-8-4-3-5-9-19)21-11-12-22-24(29-16-33(22)15-21)20-10-6-7-18(13-20)14-28/h3-13,15-17,23H,1-2H3,(H,31,32,34).

What are the key properties of 3-[1-(3-cyanophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide?

3-[1-(3-cyanophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 478.58 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(3-cyanophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 24954792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).