1-[4-(1,4-dimethylpyrazol-5-yl)-5-methylpyrimidin-2-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpiperidine-4-carboxamide

C23H31N7OS — CID 171748774

IUPAC1-[4-(1,4-dimethylpyrazol-5-yl)-5-methylpyrimidin-2-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpiperidine-4-carboxamide
SMILESCc1nc(C)c(CN(C)C(=O)C2CCN(c3ncc(C)c(-c4c(C)cnn4C)n3)CC2)s1
InChIInChI=1S/C23H31N7OS/c1-14-11-24-23(27-20(14)21-15(2)12-25-29(21)6)30-9-7-18(8-10-30)22(31)28(5)13-19-16(3)26-17(4)32-19/h11-12,18H,7-10,13H2,1-6H3
InChIKeyLJQZENMESBUQPH-UHFFFAOYSA-N
MW453.62 g/mol
LogP3.44
Rot. Bonds5

About 1-[4-(1,4-dimethylpyrazol-5-yl)-5-methylpyrimidin-2-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpiperidine-4-carboxamide

1-[4-(1,4-dimethylpyrazol-5-yl)-5-methylpyrimidin-2-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpiperidine-4-carboxamide (PubChem CID 171748774) has the molecular formula C23H31N7OS and a molecular weight of 453.62 g/mol. Its IUPAC name is 1-[4-(1,4-dimethylpyrazol-5-yl)-5-methylpyrimidin-2-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(1,4-dimethylpyrazol-5-yl)-5-methylpyrimidin-2-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpiperidine-4-carboxamide
PubChem CID171748774
Molecular FormulaC23H31N7OS
Molecular Weight453.62 g/mol
Exact Mass453.23
IUPAC Name1-[4-(1,4-dimethylpyrazol-5-yl)-5-methylpyrimidin-2-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpiperidine-4-carboxamide
SMILESCc1nc(C)c(CN(C)C(=O)C2CCN(c3ncc(C)c(-c4c(C)cnn4C)n3)CC2)s1
InChIInChI=1S/C23H31N7OS/c1-14-11-24-23(27-20(14)21-15(2)12-25-29(21)6)30-9-7-18(8-10-30)22(31)28(5)13-19-16(3)26-17(4)32-19/h11-12,18H,7-10,13H2,1-6H3
InChIKeyLJQZENMESBUQPH-UHFFFAOYSA-N
XLogP3.44
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.62
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidin-2-yl]-N-methyl-N-[(2,3,5-trifluorophenyl)methyl]piperidine-4-carboxamide
CID 170783051
1-[4-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidin-2-yl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]piperidine-4-carboxamide
CID 170783065
1-[4-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidin-2-yl]-N-hydroxy-N-[(2-methylpyrazol-3-yl)methyl]piperidine-4-carboxamide
CID 170782992
N-(cyclohexen-1-ylmethyl)-1-[4-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidin-2-yl]-N-hydroxypiperidine-4-carboxamide
CID 170782985
1-[4-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidin-2-yl]-N-ethyl-N-[(1-methylpyrazol-3-yl)methyl]piperidine-4-carboxamide
CID 170783050
N-[dideuterio-(2,3,5-trifluorophenyl)methyl]-1-[4-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidin-2-yl]piperidine-4-carboxamide
CID 170782975
N,N-dimethyl-1-[5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]pyrrolidin-3-amine
CID 45229674
1-(4-amino-5-methylpyrimidin-2-yl)piperidine-4-carboxylic acid
CID 170002097
N-benzyl-N-methyl-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 53010331
N-methyl-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 42322211
[1-(4,5-dimethylpyrimidin-2-yl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 75436364
1-(4-methoxypyrimidin-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 78852400

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,4-dimethylpyrazol-5-yl)-5-methylpyrimidin-2-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[4-(1,4-dimethylpyrazol-5-yl)-5-methylpyrimidin-2-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpiperidine-4-carboxamide (CID 171748774) is 1-[4-(1,4-dimethylpyrazol-5-yl)-5-methylpyrimidin-2-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(1,4-dimethylpyrazol-5-yl)-5-methylpyrimidin-2-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[4-(1,4-dimethylpyrazol-5-yl)-5-methylpyrimidin-2-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpiperidine-4-carboxamide is Cc1nc(C)c(CN(C)C(=O)C2CCN(c3ncc(C)c(-c4c(C)cnn4C)n3)CC2)s1.
What is the InChIKey of 1-[4-(1,4-dimethylpyrazol-5-yl)-5-methylpyrimidin-2-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is LJQZENMESBUQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7OS/c1-14-11-24-23(27-20(14)21-15(2)12-25-29(21)6)30-9-7-18(8-10-30)22(31)28(5)13-19-16(3)26-17(4)32-19/h11-12,18H,7-10,13H2,1-6H3.
What are the key properties of 1-[4-(1,4-dimethylpyrazol-5-yl)-5-methylpyrimidin-2-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpiperidine-4-carboxamide?
1-[4-(1,4-dimethylpyrazol-5-yl)-5-methylpyrimidin-2-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 453.62 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,4-dimethylpyrazol-5-yl)-5-methylpyrimidin-2-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 171748774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).