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

C27H25N5O2S — CID 24955152

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

3-[1-[3-(hydroxymethyl)phenyl]imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 24955152) has the molecular formula C27H25N5O2S and a molecular weight of 483.60 g/mol. Its IUPAC name is 3-[1-[3-(hydroxymethyl)phenyl]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-(hydroxymethyl)phenyl]imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide
• PubChem CID: 24955152
• Molecular Formula: C27H25N5O2S
• Molecular Weight: 483.60 g/mol
• Exact Mass: 483.17
• IUPAC Name: 3-[1-[3-(hydroxymethyl)phenyl]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(CO)c3)ncn2c1
• InChI: InChI=1S/C27H25N5O2S/c1-27(2,25(34)30-26-31-29-17-35-26)23(19-8-4-3-5-9-19)21-11-12-22-24(28-16-32(22)14-21)20-10-6-7-18(13-20)15-33/h3-14,16-17,23,33H,15H2,1-2H3,(H,30,31,34)
• InChIKey: WLKMHVZIDHRVCH-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 92.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.60
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(hydroxymethyl)phenyl]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-(hydroxymethyl)phenyl]imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide (CID 24955152) is 3-[1-[3-(hydroxymethyl)phenyl]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-(hydroxymethyl)phenyl]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-(hydroxymethyl)phenyl]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(CO)c3)ncn2c1.

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

The InChIKey is WLKMHVZIDHRVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2S/c1-27(2,25(34)30-26-31-29-17-35-26)23(19-8-4-3-5-9-19)21-11-12-22-24(28-16-32(22)14-21)20-10-6-7-18(13-20)15-33/h3-14,16-17,23,33H,15H2,1-2H3,(H,30,31,34).

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

3-[1-[3-(hydroxymethyl)phenyl]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 483.60 g/mol, XLogP of 5.14, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[3-(hydroxymethyl)phenyl]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 24955152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).