[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone

C17H21N7O — CID 95978646

About [(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone

[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone (PubChem CID 95978646) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is [(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone.

Molecular Properties

• Compound Name: [(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
• PubChem CID: 95978646
• Molecular Formula: C17H21N7O
• Molecular Weight: 339.40 g/mol
• Exact Mass: 339.18
• IUPAC Name: [(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
• SMILES: Cc1cc(C)n([C@@H]2CCCN(C(=O)c3nc4nccc(C)n4n3)C2)n1
• InChI: InChI=1S/C17H21N7O/c1-11-9-13(3)23(20-11)14-5-4-8-22(10-14)16(25)15-19-17-18-7-6-12(2)24(17)21-15/h6-7,9,14H,4-5,8,10H2,1-3H3/t14-/m1/s1
• InChIKey: CDBHNNSOCNGYJS-CQSZACIVSA-N
• XLogP: 1.72
• TPSA: 81.21 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.40
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?

The IUPAC name of [(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone (CID 95978646) is [(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone.

What is the SMILES notation for [(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?

The canonical SMILES for [(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone is Cc1cc(C)n([C@@H]2CCCN(C(=O)c3nc4nccc(C)n4n3)C2)n1.

What is the InChIKey of [(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?

The InChIKey is CDBHNNSOCNGYJS-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21N7O/c1-11-9-13(3)23(20-11)14-5-4-8-22(10-14)16(25)15-19-17-18-7-6-12(2)24(17)21-15/h6-7,9,14H,4-5,8,10H2,1-3H3/t14-/m1/s1.

What are the key properties of [(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?

[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone has a molecular weight of 339.40 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone is sourced from PubChem (CID 95978646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).