1-methyl-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide

C20H24N6OS — CID 122352897

IUPAC1-methyl-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCc1cc(CNC(=O)c2cc(-c3cccs3)nn2C)nc(N2CCCCC2)n1
InChIInChI=1S/C20H24N6OS/c1-14-11-15(23-20(22-14)26-8-4-3-5-9-26)13-21-19(27)17-12-16(24-25(17)2)18-7-6-10-28-18/h6-7,10-12H,3-5,8-9,13H2,1-2H3,(H,21,27)
InChIKeyPKVKTTMBEGKUMX-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.17
Rot. Bonds5

About 1-methyl-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide

1-methyl-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide (PubChem CID 122352897) has the molecular formula C20H24N6OS and a molecular weight of 396.52 g/mol. Its IUPAC name is 1-methyl-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide
PubChem CID122352897
Molecular FormulaC20H24N6OS
Molecular Weight396.52 g/mol
Exact Mass396.17
IUPAC Name1-methyl-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCc1cc(CNC(=O)c2cc(-c3cccs3)nn2C)nc(N2CCCCC2)n1
InChIInChI=1S/C20H24N6OS/c1-14-11-15(23-20(22-14)26-8-4-3-5-9-26)13-21-19(27)17-12-16(24-25(17)2)18-7-6-10-28-18/h6-7,10-12H,3-5,8-9,13H2,1-2H3,(H,21,27)
InChIKeyPKVKTTMBEGKUMX-UHFFFAOYSA-N
XLogP3.17
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-methyl-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide with MolForge

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Related Compounds

1-methyl-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 122295961
1-methyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 122294976
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 122322316
1-methyl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 122327656
1-methyl-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762181
5-bromo-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]furan-2-carboxamide
CID 72718310
[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone
CID 122340074
4-acetyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]thiophene-2-carboxamide
CID 166201009
2-(2-chlorophenyl)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122352355
N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-2-phenoxyacetamide
CID 72718308
2,4-dichloro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122352644
N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762130

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide (CID 122352897) is 1-methyl-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide is Cc1cc(CNC(=O)c2cc(-c3cccs3)nn2C)nc(N2CCCCC2)n1.
What is the InChIKey of 1-methyl-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide?
The InChIKey is PKVKTTMBEGKUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6OS/c1-14-11-15(23-20(22-14)26-8-4-3-5-9-26)13-21-19(27)17-12-16(24-25(17)2)18-7-6-10-28-18/h6-7,10-12H,3-5,8-9,13H2,1-2H3,(H,21,27).
What are the key properties of 1-methyl-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide?
1-methyl-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide has a molecular weight of 396.52 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 122352897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).