N-[2-methyl-5-(methylcarbamoyl)-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C18H17N7O2S — CID 164547259

IUPACN-[2-methyl-5-(methylcarbamoyl)-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCNC(=O)c1cnc(C)c(NC(=O)c2cnn3cc(-c4cnn(C)c4)sc23)c1
InChIInChI=1S/C18H17N7O2S/c1-10-14(4-11(5-20-10)16(26)19-2)23-17(27)13-7-22-25-9-15(28-18(13)25)12-6-21-24(3)8-12/h4-9H,1-3H3,(H,19,26)(H,23,27)
InChIKeySCJOTJMDZJTJQU-UHFFFAOYSA-N
MW395.45 g/mol
LogP2.11
Rot. Bonds4

About N-[2-methyl-5-(methylcarbamoyl)-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

N-[2-methyl-5-(methylcarbamoyl)-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 164547259) has the molecular formula C18H17N7O2S and a molecular weight of 395.45 g/mol. Its IUPAC name is N-[2-methyl-5-(methylcarbamoyl)-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-(methylcarbamoyl)-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
PubChem CID164547259
Molecular FormulaC18H17N7O2S
Molecular Weight395.45 g/mol
Exact Mass395.12
IUPAC NameN-[2-methyl-5-(methylcarbamoyl)-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCNC(=O)c1cnc(C)c(NC(=O)c2cnn3cc(-c4cnn(C)c4)sc23)c1
InChIInChI=1S/C18H17N7O2S/c1-10-14(4-11(5-20-10)16(26)19-2)23-17(27)13-7-22-25-9-15(28-18(13)25)12-6-21-24(3)8-12/h4-9H,1-3H3,(H,19,26)(H,23,27)
InChIKeySCJOTJMDZJTJQU-UHFFFAOYSA-N
XLogP2.11
TPSA106.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.45
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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-[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-[[(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-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164548251
6-methyl-5-[[2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]pyridine-3-carboxylic acid
CID 164547893
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-(5-carbamoyl-2-methyl-3-pyridinyl)-2-pyridin-3-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164547502
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
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
N-[5-[2-(3,3-dimethylazetidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164547960

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(methylcarbamoyl)-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The IUPAC name of N-[2-methyl-5-(methylcarbamoyl)-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 164547259) is N-[2-methyl-5-(methylcarbamoyl)-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.
What is the SMILES notation for N-[2-methyl-5-(methylcarbamoyl)-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The canonical SMILES for N-[2-methyl-5-(methylcarbamoyl)-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is CNC(=O)c1cnc(C)c(NC(=O)c2cnn3cc(-c4cnn(C)c4)sc23)c1.
What is the InChIKey of N-[2-methyl-5-(methylcarbamoyl)-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The InChIKey is SCJOTJMDZJTJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O2S/c1-10-14(4-11(5-20-10)16(26)19-2)23-17(27)13-7-22-25-9-15(28-18(13)25)12-6-21-24(3)8-12/h4-9H,1-3H3,(H,19,26)(H,23,27).
What are the key properties of N-[2-methyl-5-(methylcarbamoyl)-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
N-[2-methyl-5-(methylcarbamoyl)-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 395.45 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(methylcarbamoyl)-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 164547259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).