[(2S)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone

C22H24N4OS — CID 92554818

IUPAC[(2S)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone
SMILESCc1csc(C(=O)N2CCCC[C@H]2c2nc(C)ncc2-c2ccncc2C)c1
InChIInChI=1S/C22H24N4OS/c1-14-10-20(28-13-14)22(27)26-9-5-4-6-19(26)21-18(12-24-16(3)25-21)17-7-8-23-11-15(17)2/h7-8,10-13,19H,4-6,9H2,1-3H3/t19-/m0/s1
InChIKeyYNPCSVNVDCEUFL-IBGZPJMESA-N
MW392.53 g/mol
LogP4.89
Rot. Bonds3

About [(2S)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone

[(2S)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone (PubChem CID 92554818) has the molecular formula C22H24N4OS and a molecular weight of 392.53 g/mol. Its IUPAC name is [(2S)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone
PubChem CID92554818
Molecular FormulaC22H24N4OS
Molecular Weight392.53 g/mol
Exact Mass392.17
IUPAC Name[(2S)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone
SMILESCc1csc(C(=O)N2CCCC[C@H]2c2nc(C)ncc2-c2ccncc2C)c1
InChIInChI=1S/C22H24N4OS/c1-14-10-20(28-13-14)22(27)26-9-5-4-6-19(26)21-18(12-24-16(3)25-21)17-7-8-23-11-15(17)2/h7-8,10-13,19H,4-6,9H2,1-3H3/t19-/m0/s1
InChIKeyYNPCSVNVDCEUFL-IBGZPJMESA-N
XLogP4.89
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 92554817
(3-tert-butyl-1-methylpyrazol-5-yl)-[2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110218280
(3-tert-butyl-1-methylpyrazol-5-yl)-[(2R)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 92563577
(2-ethoxy-3-pyridinyl)-[(2S)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 92593239
1-[2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 110218145
[(2R)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 92563663
3-(4-ethoxyphenyl)-1-[2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 110218288
2-(2-ethoxy-4-methylphenoxy)-1-[2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110218153
[2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 110218379
2-(2,6-dimethoxyphenoxy)-1-[2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110218157
(6-methoxy-3-pyridinyl)-[(2S)-2-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 92565288
1-[2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone
CID 110245839

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone?
The IUPAC name of [(2S)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone (CID 92554818) is [(2S)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone.
What is the SMILES notation for [(2S)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone?
The canonical SMILES for [(2S)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone is Cc1csc(C(=O)N2CCCC[C@H]2c2nc(C)ncc2-c2ccncc2C)c1.
What is the InChIKey of [(2S)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone?
The InChIKey is YNPCSVNVDCEUFL-IBGZPJMESA-N. The full InChI is InChI=1S/C22H24N4OS/c1-14-10-20(28-13-14)22(27)26-9-5-4-6-19(26)21-18(12-24-16(3)25-21)17-7-8-23-11-15(17)2/h7-8,10-13,19H,4-6,9H2,1-3H3/t19-/m0/s1.
What are the key properties of [(2S)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone?
[(2S)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone has a molecular weight of 392.53 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone is sourced from PubChem (CID 92554818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).