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

C17H16N6O3S — CID 167138712

IUPAC2-methyl-3-[[2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-1,2-dihydropyridine-5-carboxylic acid
SMILESCC1NC=C(C(=O)O)C=C1NC(=O)c1cnn2cc(-c3cn(C)cn3)sc12
InChIInChI=1S/C17H16N6O3S/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/h3-9,18H,1-2H3,(H,21,24)(H,25,26)
InChIKeyIBLKXLMPRGVAAB-UHFFFAOYSA-N
MW384.42 g/mol
LogP1.37
Rot. Bonds4

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

2-methyl-3-[[2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-1,2-dihydropyridine-5-carboxylic acid (PubChem CID 167138712) has the molecular formula C17H16N6O3S and a molecular weight of 384.42 g/mol. Its IUPAC name is 2-methyl-3-[[2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-1,2-dihydropyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-[[2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-1,2-dihydropyridine-5-carboxylic acid
PubChem CID167138712
Molecular FormulaC17H16N6O3S
Molecular Weight384.42 g/mol
Exact Mass384.10
IUPAC Name2-methyl-3-[[2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-1,2-dihydropyridine-5-carboxylic acid
SMILESCC1NC=C(C(=O)O)C=C1NC(=O)c1cnn2cc(-c3cn(C)cn3)sc12
InChIInChI=1S/C17H16N6O3S/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/h3-9,18H,1-2H3,(H,21,24)(H,25,26)
InChIKeyIBLKXLMPRGVAAB-UHFFFAOYSA-N
XLogP1.37
TPSA113.55 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-1,2-dihydropyridine-5-carboxylic acid?
The IUPAC name of 2-methyl-3-[[2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-1,2-dihydropyridine-5-carboxylic acid (CID 167138712) is 2-methyl-3-[[2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-1,2-dihydropyridine-5-carboxylic acid.
What is the SMILES notation for 2-methyl-3-[[2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-1,2-dihydropyridine-5-carboxylic acid?
The canonical SMILES for 2-methyl-3-[[2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-1,2-dihydropyridine-5-carboxylic acid is CC1NC=C(C(=O)O)C=C1NC(=O)c1cnn2cc(-c3cn(C)cn3)sc12.
What is the InChIKey of 2-methyl-3-[[2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-1,2-dihydropyridine-5-carboxylic acid?
The InChIKey is IBLKXLMPRGVAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O3S/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/h3-9,18H,1-2H3,(H,21,24)(H,25,26).
What are the key properties of 2-methyl-3-[[2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-1,2-dihydropyridine-5-carboxylic acid?
2-methyl-3-[[2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-1,2-dihydropyridine-5-carboxylic acid has a molecular weight of 384.42 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-1,2-dihydropyridine-5-carboxylic acid is sourced from PubChem (CID 167138712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).