6-methyl-5-[[2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]pyridine-3-carboxylic acid

C17H14N6O3S — CID 164547893

IUPAC6-methyl-5-[[2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]pyridine-3-carboxylic acid
SMILESCc1ncc(C(=O)O)cc1NC(=O)c1cnn2cc(-c3cn(C)cn3)sc12
InChIInChI=1S/C17H14N6O3S/c1-9-12(3-10(4-18-9)17(25)26)21-15(24)11-5-20-23-7-14(27-16(11)23)13-6-22(2)8-19-13/h3-8H,1-2H3,(H,21,24)(H,25,26)
InChIKeyUOLNRWMYBAVSRD-UHFFFAOYSA-N
MW382.41 g/mol
LogP2.45
Rot. Bonds4

About 6-methyl-5-[[2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]pyridine-3-carboxylic acid

6-methyl-5-[[2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]pyridine-3-carboxylic acid (PubChem CID 164547893) has the molecular formula C17H14N6O3S and a molecular weight of 382.41 g/mol. Its IUPAC name is 6-methyl-5-[[2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-5-[[2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]pyridine-3-carboxylic acid
PubChem CID164547893
Molecular FormulaC17H14N6O3S
Molecular Weight382.41 g/mol
Exact Mass382.08
IUPAC Name6-methyl-5-[[2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]pyridine-3-carboxylic acid
SMILESCc1ncc(C(=O)O)cc1NC(=O)c1cnn2cc(-c3cn(C)cn3)sc12
InChIInChI=1S/C17H14N6O3S/c1-9-12(3-10(4-18-9)17(25)26)21-15(24)11-5-20-23-7-14(27-16(11)23)13-6-22(2)8-19-13/h3-8H,1-2H3,(H,21,24)(H,25,26)
InChIKeyUOLNRWMYBAVSRD-UHFFFAOYSA-N
XLogP2.45
TPSA114.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-methyl-5-(methylcarbamoyl)-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164547259
N-(5-carbamoyl-2-methyl-3-pyridinyl)-2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164548251
ethyl 6-methyl-5-[[2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]pyridine-3-carboxylate
CID 164548132
N-(5-carbamoyl-2-methyl-3-pyridinyl)-2-pyridin-3-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164547502
N-[5-[2-(azepan-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1,3-dimethylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164547198
2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-N-[2-methyl-5-[2-(propan-2-ylamino)ethylcarbamoyl]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 170635889
2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-(2,5-dimethyl-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164547296
N-[5-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 170636046
N-[5-[2-(cyclobutylamino)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164547146
N-[5-[2-(2-hydroxyethylamino)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;hydrochloride
CID 164547713
2-bromo-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164548202
N-[5-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1,3-dimethylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 170636057

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[[2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-5-[[2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]pyridine-3-carboxylic acid (CID 164547893) is 6-methyl-5-[[2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-5-[[2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-5-[[2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]pyridine-3-carboxylic acid is Cc1ncc(C(=O)O)cc1NC(=O)c1cnn2cc(-c3cn(C)cn3)sc12.
What is the InChIKey of 6-methyl-5-[[2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]pyridine-3-carboxylic acid?
The InChIKey is UOLNRWMYBAVSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O3S/c1-9-12(3-10(4-18-9)17(25)26)21-15(24)11-5-20-23-7-14(27-16(11)23)13-6-22(2)8-19-13/h3-8H,1-2H3,(H,21,24)(H,25,26).
What are the key properties of 6-methyl-5-[[2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]pyridine-3-carboxylic acid?
6-methyl-5-[[2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]pyridine-3-carboxylic acid has a molecular weight of 382.41 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[[2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 164547893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).