5-methyl-2-(3-methylphenyl)-7-(3-methylthiophen-2-yl)-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C24H22N6OS — CID 135575450

About 5-methyl-2-(3-methylphenyl)-7-(3-methylthiophen-2-yl)-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

5-methyl-2-(3-methylphenyl)-7-(3-methylthiophen-2-yl)-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135575450) has the molecular formula C24H22N6OS and a molecular weight of 442.55 g/mol. Its IUPAC name is 5-methyl-2-(3-methylphenyl)-7-(3-methylthiophen-2-yl)-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-2-(3-methylphenyl)-7-(3-methylthiophen-2-yl)-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
• PubChem CID: 135575450
• Molecular Formula: C24H22N6OS
• Molecular Weight: 442.55 g/mol
• Exact Mass: 442.16
• IUPAC Name: 5-methyl-2-(3-methylphenyl)-7-(3-methylthiophen-2-yl)-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
• SMILES: CC1=C(C(=O)Nc2cccnc2)C(c2sccc2C)n2nc(-c3cccc(C)c3)nc2N1
• InChI: InChI=1S/C24H22N6OS/c1-14-6-4-7-17(12-14)22-28-24-26-16(3)19(23(31)27-18-8-5-10-25-13-18)20(30(24)29-22)21-15(2)9-11-32-21/h4-13,20H,1-3H3,(H,27,31)(H,26,28,29)
• InChIKey: SNIOGTWHMJWZCC-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 84.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.55
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-methylphenyl)-7-(3-methylthiophen-2-yl)-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

The IUPAC name of 5-methyl-2-(3-methylphenyl)-7-(3-methylthiophen-2-yl)-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 135575450) is 5-methyl-2-(3-methylphenyl)-7-(3-methylthiophen-2-yl)-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

What is the SMILES notation for 5-methyl-2-(3-methylphenyl)-7-(3-methylthiophen-2-yl)-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

The canonical SMILES for 5-methyl-2-(3-methylphenyl)-7-(3-methylthiophen-2-yl)-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2cccnc2)C(c2sccc2C)n2nc(-c3cccc(C)c3)nc2N1.

What is the InChIKey of 5-methyl-2-(3-methylphenyl)-7-(3-methylthiophen-2-yl)-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

The InChIKey is SNIOGTWHMJWZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6OS/c1-14-6-4-7-17(12-14)22-28-24-26-16(3)19(23(31)27-18-8-5-10-25-13-18)20(30(24)29-22)21-15(2)9-11-32-21/h4-13,20H,1-3H3,(H,27,31)(H,26,28,29).

What are the key properties of 5-methyl-2-(3-methylphenyl)-7-(3-methylthiophen-2-yl)-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

5-methyl-2-(3-methylphenyl)-7-(3-methylthiophen-2-yl)-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 442.55 g/mol, XLogP of 4.95, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-2-(3-methylphenyl)-7-(3-methylthiophen-2-yl)-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135575450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).