N-(2,5-dimethyl-3-pyridinyl)-2-(1-methylindazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C21H18N6OS — CID 167138727

IUPACN-(2,5-dimethyl-3-pyridinyl)-2-(1-methylindazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCc1cnc(C)c(NC(=O)c2cnn3cc(-c4cccc5c4cnn5C)sc23)c1
InChIInChI=1S/C21H18N6OS/c1-12-7-17(13(2)22-8-12)25-20(28)16-10-24-27-11-19(29-21(16)27)14-5-4-6-18-15(14)9-23-26(18)3/h4-11H,1-3H3,(H,25,28)
InChIKeyHPHWWDUJGBWBOC-UHFFFAOYSA-N
MW402.48 g/mol
LogP4.21
Rot. Bonds3

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

N-(2,5-dimethyl-3-pyridinyl)-2-(1-methylindazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 167138727) has the molecular formula C21H18N6OS and a molecular weight of 402.48 g/mol. Its IUPAC name is N-(2,5-dimethyl-3-pyridinyl)-2-(1-methylindazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethyl-3-pyridinyl)-2-(1-methylindazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
PubChem CID167138727
Molecular FormulaC21H18N6OS
Molecular Weight402.48 g/mol
Exact Mass402.13
IUPAC NameN-(2,5-dimethyl-3-pyridinyl)-2-(1-methylindazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCc1cnc(C)c(NC(=O)c2cnn3cc(-c4cccc5c4cnn5C)sc23)c1
InChIInChI=1S/C21H18N6OS/c1-12-7-17(13(2)22-8-12)25-20(28)16-10-24-27-11-19(29-21(16)27)14-5-4-6-18-15(14)9-23-26(18)3/h4-11H,1-3H3,(H,25,28)
InChIKeyHPHWWDUJGBWBOC-UHFFFAOYSA-N
XLogP4.21
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-carbamoyl-2-methyl-3-pyridinyl)-2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164548251
N-(5-acetyl-2-methyl-3-pyridinyl)-2-[2-methanimidoyl-3-(methylamino)phenyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen
CID 164547566
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-carbamoyl-2-methyl-3-pyridinyl)-2-pyridin-3-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164547502
N-[2-methyl-5-(methylcarbamoyl)-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164547259
tert-butyl N-[5-[[2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-6-methyl-3-pyridinyl]carbamate;molecular hydrogen
CID 164548246
N-[5-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-oxo-1H-pyridin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 174222227
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-(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
N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-ethyl-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen
CID 164547834
tert-butyl N-[6-methyl-5-[[2-(1H-pyrrol-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-3-pyridinyl]carbamate
CID 164548048

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethyl-3-pyridinyl)-2-(1-methylindazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The IUPAC name of N-(2,5-dimethyl-3-pyridinyl)-2-(1-methylindazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 167138727) is N-(2,5-dimethyl-3-pyridinyl)-2-(1-methylindazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.
What is the SMILES notation for N-(2,5-dimethyl-3-pyridinyl)-2-(1-methylindazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The canonical SMILES for N-(2,5-dimethyl-3-pyridinyl)-2-(1-methylindazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is Cc1cnc(C)c(NC(=O)c2cnn3cc(-c4cccc5c4cnn5C)sc23)c1.
What is the InChIKey of N-(2,5-dimethyl-3-pyridinyl)-2-(1-methylindazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The InChIKey is HPHWWDUJGBWBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6OS/c1-12-7-17(13(2)22-8-12)25-20(28)16-10-24-27-11-19(29-21(16)27)14-5-4-6-18-15(14)9-23-26(18)3/h4-11H,1-3H3,(H,25,28).
What are the key properties of N-(2,5-dimethyl-3-pyridinyl)-2-(1-methylindazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
N-(2,5-dimethyl-3-pyridinyl)-2-(1-methylindazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 402.48 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethyl-3-pyridinyl)-2-(1-methylindazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 167138727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).