[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone

C17H22N6O2 — CID 51867951

IUPAC[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
SMILESCc1nc(N2CCN(C(=O)[C@H]3CCCO3)CC2)cc(-n2cccn2)n1
InChIInChI=1S/C17H22N6O2/c1-13-19-15(12-16(20-13)23-6-3-5-18-23)21-7-9-22(10-8-21)17(24)14-4-2-11-25-14/h3,5-6,12,14H,2,4,7-11H2,1H3/t14-/m1/s1
InChIKeyPESLAZBATVJEGA-CQSZACIVSA-N
MW342.40 g/mol
LogP0.80
Rot. Bonds3

About [4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone

[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone (PubChem CID 51867951) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is [4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
PubChem CID51867951
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
SMILESCc1nc(N2CCN(C(=O)[C@H]3CCCO3)CC2)cc(-n2cccn2)n1
InChIInChI=1S/C17H22N6O2/c1-13-19-15(12-16(20-13)23-6-3-5-18-23)21-7-9-22(10-8-21)17(24)14-4-2-11-25-14/h3,5-6,12,14H,2,4,7-11H2,1H3/t14-/m1/s1
InChIKeyPESLAZBATVJEGA-CQSZACIVSA-N
XLogP0.80
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Oxolan-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2932528
[(2S)-oxolan-2-yl]-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 97471180
(4-(6-(1H-pyrazol-1-yl)pyridazin-3-yl)piperazin-1-yl)(tetrahydrofuran-2-yl)methanone
CID 44023809
(2R)-N-pyrazolo[1,5-a]pyrimidin-5-yloxolane-2-carboxamide
CID 126832003
(2S)-N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-N-methyloxolane-2-carboxamide
CID 128185081
2-methoxy-1-(4-(2-methyl-6-(1H-pyrazol-1-yl)pyrimidin-4-yl)piperazin-1-yl)ethanone
CID 45502396
(4-(2-methyl-6-(1H-pyrazol-1-yl)pyrimidin-4-yl)piperazin-1-yl)(tetrahydrofuran-2-yl)methanone
CID 45502398
N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]oxolane-2-carboxamide
CID 53168008
6-(methoxymethyl)-1-methyl-4-[4-(tetrahydro-2-furanylcarbonyl)-1-piperazinyl]-1H-pyrazolo[3,4-d]pyrimidine
CID 56895088
(4-(2-methyl-6-(1H-pyrrol-1-yl)pyrimidin-4-yl)piperazin-1-yl)(tetrahydrofuran-2-yl)methanone
CID 71800043
[(2R)-oxolan-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 898041
[(2S)-oxolan-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 898042

Frequently Asked Questions

What is the IUPAC name of [4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The IUPAC name of [4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone (CID 51867951) is [4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone.
What is the SMILES notation for [4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The canonical SMILES for [4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone is Cc1nc(N2CCN(C(=O)[C@H]3CCCO3)CC2)cc(-n2cccn2)n1.
What is the InChIKey of [4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The InChIKey is PESLAZBATVJEGA-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-13-19-15(12-16(20-13)23-6-3-5-18-23)21-7-9-22(10-8-21)17(24)14-4-2-11-25-14/h3,5-6,12,14H,2,4,7-11H2,1H3/t14-/m1/s1.
What are the key properties of [4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone?
[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone has a molecular weight of 342.40 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone is sourced from PubChem (CID 51867951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).