2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid

C18H19N5O3S — CID 136556524

IUPAC2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid
SMILESCc1cc2ncc(C(=O)N3CCC(c4ncc(C(=O)O)s4)CC3)c(C)n2n1
InChIInChI=1S/C18H19N5O3S/c1-10-7-15-19-8-13(11(2)23(15)21-10)17(24)22-5-3-12(4-6-22)16-20-9-14(27-16)18(25)26/h7-9,12H,3-6H2,1-2H3,(H,25,26)
InChIKeyBKMXEOXYMXYSAM-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.52
Rot. Bonds3

About 2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid

2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid (PubChem CID 136556524) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is 2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid
PubChem CID136556524
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC Name2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid
SMILESCc1cc2ncc(C(=O)N3CCC(c4ncc(C(=O)O)s4)CC3)c(C)n2n1
InChIInChI=1S/C18H19N5O3S/c1-10-7-15-19-8-13(11(2)23(15)21-10)17(24)22-5-3-12(4-6-22)16-20-9-14(27-16)18(25)26/h7-9,12H,3-6H2,1-2H3,(H,25,26)
InChIKeyBKMXEOXYMXYSAM-UHFFFAOYSA-N
XLogP2.52
TPSA100.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid with MolForge

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Related Compounds

6-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174899
2-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid
CID 136556527
[4-[4-(4-chlorophenyl)-5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 3805941
(3,5-dimethylpiperidin-1-yl)-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 42938714
(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-(2,3-dimethylpyrrolidin-1-yl)methanone
CID 127432946
(3S,4S)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951778
3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 3842713
(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 24641599
methyl 1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-3-methylazetidine-3-carboxylate
CID 126422950
methyl (4R)-3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 23732408
2-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid
CID 167954953
2-[1-(3-methylcyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid
CID 136556526

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid (CID 136556524) is 2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid is Cc1cc2ncc(C(=O)N3CCC(c4ncc(C(=O)O)s4)CC3)c(C)n2n1.
What is the InChIKey of 2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is BKMXEOXYMXYSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-10-7-15-19-8-13(11(2)23(15)21-10)17(24)22-5-3-12(4-6-22)16-20-9-14(27-16)18(25)26/h7-9,12H,3-6H2,1-2H3,(H,25,26).
What are the key properties of 2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid?
2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 385.45 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 136556524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).