(1-methylpyrazol-4-yl)-[4-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone

C20H22N6O — CID 92615374

IUPAC(1-methylpyrazol-4-yl)-[4-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone
SMILESCc1cc(-c2cncnc2)cc(C2CCN(C(=O)c3cnn(C)c3)CC2)n1
InChIInChI=1S/C20H22N6O/c1-14-7-16(17-9-21-13-22-10-17)8-19(24-14)15-3-5-26(6-4-15)20(27)18-11-23-25(2)12-18/h7-13,15H,3-6H2,1-2H3
InChIKeyXSMNPFQZSJTOMO-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.60
Rot. Bonds3

About (1-methylpyrazol-4-yl)-[4-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone

(1-methylpyrazol-4-yl)-[4-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone (PubChem CID 92615374) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-[4-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-[4-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone
PubChem CID92615374
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name(1-methylpyrazol-4-yl)-[4-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone
SMILESCc1cc(-c2cncnc2)cc(C2CCN(C(=O)c3cnn(C)c3)CC2)n1
InChIInChI=1S/C20H22N6O/c1-14-7-16(17-9-21-13-22-10-17)8-19(24-14)15-3-5-26(6-4-15)20(27)18-11-23-25(2)12-18/h7-13,15H,3-6H2,1-2H3
InChIKeyXSMNPFQZSJTOMO-UHFFFAOYSA-N
XLogP2.60
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1-methylpyrazol-4-yl)-[4-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-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

(1-methylpyrazol-4-yl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone
CID 95824601
[4-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110132814
[4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95824574
(2-methyl-1,3-benzothiazol-6-yl)-[3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone
CID 110252485
3-(2-ethylimidazol-1-yl)-1-[4-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one
CID 92617351
N,N-dimethyl-4-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidine-1-sulfonamide
CID 92617323
1-[3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one
CID 110252451
2-(1-hydroxycyclohexyl)-1-[(3R)-3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)pyrrolidin-1-yl]ethanone
CID 95834644
[3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 110264830
[4-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95823156
[3-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110270342
[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 172900074

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-[4-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone?
The IUPAC name of (1-methylpyrazol-4-yl)-[4-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone (CID 92615374) is (1-methylpyrazol-4-yl)-[4-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrazol-4-yl)-[4-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone?
The canonical SMILES for (1-methylpyrazol-4-yl)-[4-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone is Cc1cc(-c2cncnc2)cc(C2CCN(C(=O)c3cnn(C)c3)CC2)n1.
What is the InChIKey of (1-methylpyrazol-4-yl)-[4-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone?
The InChIKey is XSMNPFQZSJTOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-14-7-16(17-9-21-13-22-10-17)8-19(24-14)15-3-5-26(6-4-15)20(27)18-11-23-25(2)12-18/h7-13,15H,3-6H2,1-2H3.
What are the key properties of (1-methylpyrazol-4-yl)-[4-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone?
(1-methylpyrazol-4-yl)-[4-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone has a molecular weight of 362.44 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-[4-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone is sourced from PubChem (CID 92615374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).