(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone

C17H20N6O — CID 71926776

IUPAC(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
SMILESCc1cc(C2CCCN(C(=O)c3c(C)nn4cccnc34)C2)n[nH]1
InChIInChI=1S/C17H20N6O/c1-11-9-14(20-19-11)13-5-3-7-22(10-13)17(24)15-12(2)21-23-8-4-6-18-16(15)23/h4,6,8-9,13H,3,5,7,10H2,1-2H3,(H,19,20)
InChIKeySGFVOASMWQGRBS-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.09
Rot. Bonds2

About (2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone

(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone (PubChem CID 71926776) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is (2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
PubChem CID71926776
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
SMILESCc1cc(C2CCCN(C(=O)c3c(C)nn4cccnc34)C2)n[nH]1
InChIInChI=1S/C17H20N6O/c1-11-9-14(20-19-11)13-5-3-7-22(10-13)17(24)15-12(2)21-23-8-4-6-18-16(15)23/h4,6,8-9,13H,3,5,7,10H2,1-2H3,(H,19,20)
InChIKeySGFVOASMWQGRBS-UHFFFAOYSA-N
XLogP2.09
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone (CID 71926776) is (2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone is Cc1cc(C2CCCN(C(=O)c3c(C)nn4cccnc34)C2)n[nH]1.
What is the InChIKey of (2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is SGFVOASMWQGRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-11-9-14(20-19-11)13-5-3-7-22(10-13)17(24)15-12(2)21-23-8-4-6-18-16(15)23/h4,6,8-9,13H,3,5,7,10H2,1-2H3,(H,19,20).
What are the key properties of (2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone?
(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 324.39 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 71926776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).