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

C24H19BrN6O — CID 1181676

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

(7R)-7-(3-bromophenyl)-5-methyl-N-phenyl-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 1181676) has the molecular formula C24H19BrN6O and a molecular weight of 487.36 g/mol. Its IUPAC name is (7R)-7-(3-bromophenyl)-5-methyl-N-phenyl-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: (7R)-7-(3-bromophenyl)-5-methyl-N-phenyl-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
• PubChem CID: 1181676
• Molecular Formula: C24H19BrN6O
• Molecular Weight: 487.36 g/mol
• Exact Mass: 486.08
• IUPAC Name: (7R)-7-(3-bromophenyl)-5-methyl-N-phenyl-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
• SMILES: CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc(Br)c2)n2nc(-c3cccnc3)nc2N1
• InChI: InChI=1S/C24H19BrN6O/c1-15-20(23(32)28-19-10-3-2-4-11-19)21(16-7-5-9-18(25)13-16)31-24(27-15)29-22(30-31)17-8-6-12-26-14-17/h2-14,21H,1H3,(H,28,32)(H,27,29,30)/t21-/m1/s1
• InChIKey: VBKGJXNDNYTSNJ-OAQYLSRUSA-N
• XLogP: 5.03
• TPSA: 84.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.36
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (7R)-7-(3-bromophenyl)-5-methyl-N-phenyl-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 1181676) is (7R)-7-(3-bromophenyl)-5-methyl-N-phenyl-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

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

The canonical SMILES for (7R)-7-(3-bromophenyl)-5-methyl-N-phenyl-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc(Br)c2)n2nc(-c3cccnc3)nc2N1.

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

The InChIKey is VBKGJXNDNYTSNJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H19BrN6O/c1-15-20(23(32)28-19-10-3-2-4-11-19)21(16-7-5-9-18(25)13-16)31-24(27-15)29-22(30-31)17-8-6-12-26-14-17/h2-14,21H,1H3,(H,28,32)(H,27,29,30)/t21-/m1/s1.

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

(7R)-7-(3-bromophenyl)-5-methyl-N-phenyl-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 487.36 g/mol, XLogP of 5.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-7-(3-bromophenyl)-5-methyl-N-phenyl-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 1181676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).