N-[(7R)-7-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyridine-3-carboxamide

C24H18ClFN6O — CID 136722211

About N-[(7R)-7-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyridine-3-carboxamide

N-[(7R)-7-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyridine-3-carboxamide (PubChem CID 136722211) has the molecular formula C24H18ClFN6O and a molecular weight of 460.90 g/mol. Its IUPAC name is N-[(7R)-7-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(7R)-7-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyridine-3-carboxamide
• PubChem CID: 136722211
• Molecular Formula: C24H18ClFN6O
• Molecular Weight: 460.90 g/mol
• Exact Mass: 460.12
• IUPAC Name: N-[(7R)-7-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyridine-3-carboxamide
• SMILES: Cc1ccc(C2=C[C@H](c3c(F)cccc3Cl)n3nc(NC(=O)c4cccnc4)nc3N2)cc1
• InChI: InChI=1S/C24H18ClFN6O/c1-14-7-9-15(10-8-14)19-12-20(21-17(25)5-2-6-18(21)26)32-24(28-19)30-23(31-32)29-22(33)16-4-3-11-27-13-16/h2-13,20H,1H3,(H2,28,29,30,31,33)/t20-/m1/s1
• InChIKey: JDXRWKPTJJKDPU-HXUWFJFHSA-N
• XLogP: 5.08
• TPSA: 84.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.90
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(7R)-7-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyridine-3-carboxamide?

The IUPAC name of N-[(7R)-7-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyridine-3-carboxamide (CID 136722211) is N-[(7R)-7-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-[(7R)-7-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyridine-3-carboxamide?

The canonical SMILES for N-[(7R)-7-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyridine-3-carboxamide is Cc1ccc(C2=C[C@H](c3c(F)cccc3Cl)n3nc(NC(=O)c4cccnc4)nc3N2)cc1.

What is the InChIKey of N-[(7R)-7-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyridine-3-carboxamide?

The InChIKey is JDXRWKPTJJKDPU-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H18ClFN6O/c1-14-7-9-15(10-8-14)19-12-20(21-17(25)5-2-6-18(21)26)32-24(28-19)30-23(31-32)29-22(33)16-4-3-11-27-13-16/h2-13,20H,1H3,(H2,28,29,30,31,33)/t20-/m1/s1.

What are the key properties of N-[(7R)-7-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyridine-3-carboxamide?

N-[(7R)-7-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyridine-3-carboxamide has a molecular weight of 460.90 g/mol, XLogP of 5.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(7R)-7-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 136722211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).