ethyl 6-methyl-5-[[2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]pyridine-3-carboxylate

C19H18N6O3S — CID 164548132

IUPACethyl 6-methyl-5-[[2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(C)c(NC(=O)c2cnn3cc(-c4cnn(C)c4)sc23)c1
InChIInChI=1S/C19H18N6O3S/c1-4-28-19(27)12-5-15(11(2)20-6-12)23-17(26)14-8-22-25-10-16(29-18(14)25)13-7-21-24(3)9-13/h5-10H,4H2,1-3H3,(H,23,26)
InChIKeyORQDWDBPAGFXCJ-UHFFFAOYSA-N
MW410.46 g/mol
LogP2.93
Rot. Bonds5

About ethyl 6-methyl-5-[[2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]pyridine-3-carboxylate

ethyl 6-methyl-5-[[2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]pyridine-3-carboxylate (PubChem CID 164548132) has the molecular formula C19H18N6O3S and a molecular weight of 410.46 g/mol. Its IUPAC name is ethyl 6-methyl-5-[[2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-5-[[2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]pyridine-3-carboxylate
PubChem CID164548132
Molecular FormulaC19H18N6O3S
Molecular Weight410.46 g/mol
Exact Mass410.12
IUPAC Nameethyl 6-methyl-5-[[2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(C)c(NC(=O)c2cnn3cc(-c4cnn(C)c4)sc23)c1
InChIInChI=1S/C19H18N6O3S/c1-4-28-19(27)12-5-15(11(2)20-6-12)23-17(26)14-8-22-25-10-16(29-18(14)25)13-7-21-24(3)9-13/h5-10H,4H2,1-3H3,(H,23,26)
InChIKeyORQDWDBPAGFXCJ-UHFFFAOYSA-N
XLogP2.93
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 6-methyl-5-[[2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[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
N-[5-[2-(2-azabicyclo[2.2.2]octan-2-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164547367
N-(5-carbamoyl-2-methyl-3-pyridinyl)-2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164548251
N-[5-[[(2S,4R)-1,4-dimethylpyrrolidine-2-carbonyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164548254
N-(5-carbamoyl-2-methyl-3-pyridinyl)-2-pyridin-3-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164547502
2-(1-methylpyrazol-4-yl)-N-[2-methyl-5-[[2-[(3S)-pyrrolidin-3-yl]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164547921
N-[5-[[2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164548250
N-[2-methyl-5-[[2-(2-methylpyrrolidin-1-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164547372
6-methyl-5-[[2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]pyridine-3-carboxylic acid
CID 164547893
N-[5-[2-(2-azaspiro[3.3]heptan-2-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164547898
2-[1-(2,3-dihydroxypropyl)pyrazol-4-yl]-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164548391

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-5-[[2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-methyl-5-[[2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]pyridine-3-carboxylate (CID 164548132) is ethyl 6-methyl-5-[[2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-methyl-5-[[2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-methyl-5-[[2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]pyridine-3-carboxylate is CCOC(=O)c1cnc(C)c(NC(=O)c2cnn3cc(-c4cnn(C)c4)sc23)c1.
What is the InChIKey of ethyl 6-methyl-5-[[2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]pyridine-3-carboxylate?
The InChIKey is ORQDWDBPAGFXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O3S/c1-4-28-19(27)12-5-15(11(2)20-6-12)23-17(26)14-8-22-25-10-16(29-18(14)25)13-7-21-24(3)9-13/h5-10H,4H2,1-3H3,(H,23,26).
What are the key properties of ethyl 6-methyl-5-[[2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]pyridine-3-carboxylate?
ethyl 6-methyl-5-[[2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]pyridine-3-carboxylate has a molecular weight of 410.46 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-5-[[2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 164548132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).