[3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyrimidin-5-ylmethanone

C17H18N6O — CID 126468512

IUPAC[3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyrimidin-5-ylmethanone
SMILESCc1cc2nccc(C3CCCN(C(=O)c4cncnc4)C3)n2n1
InChIInChI=1S/C17H18N6O/c1-12-7-16-20-5-4-15(23(16)21-12)13-3-2-6-22(10-13)17(24)14-8-18-11-19-9-14/h4-5,7-9,11,13H,2-3,6,10H2,1H3
InChIKeyXNBVGZGDOUVUOD-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.85
Rot. Bonds2

About [3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyrimidin-5-ylmethanone

[3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyrimidin-5-ylmethanone (PubChem CID 126468512) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is [3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyrimidin-5-ylmethanone.

Molecular Properties

Compound Name[3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyrimidin-5-ylmethanone
PubChem CID126468512
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name[3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyrimidin-5-ylmethanone
SMILESCc1cc2nccc(C3CCCN(C(=O)c4cncnc4)C3)n2n1
InChIInChI=1S/C17H18N6O/c1-12-7-16-20-5-4-15(23(16)21-12)13-3-2-6-22(10-13)17(24)14-8-18-11-19-9-14/h4-5,7-9,11,13H,2-3,6,10H2,1H3
InChIKeyXNBVGZGDOUVUOD-UHFFFAOYSA-N
XLogP1.85
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyrimidin-5-ylmethanone?
The IUPAC name of [3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyrimidin-5-ylmethanone (CID 126468512) is [3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyrimidin-5-ylmethanone.
What is the SMILES notation for [3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyrimidin-5-ylmethanone?
The canonical SMILES for [3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyrimidin-5-ylmethanone is Cc1cc2nccc(C3CCCN(C(=O)c4cncnc4)C3)n2n1.
What is the InChIKey of [3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyrimidin-5-ylmethanone?
The InChIKey is XNBVGZGDOUVUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-12-7-16-20-5-4-15(23(16)21-12)13-3-2-6-22(10-13)17(24)14-8-18-11-19-9-14/h4-5,7-9,11,13H,2-3,6,10H2,1H3.
What are the key properties of [3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyrimidin-5-ylmethanone?
[3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyrimidin-5-ylmethanone has a molecular weight of 322.37 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyrimidin-5-ylmethanone is sourced from PubChem (CID 126468512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).