2-bromo-N-[2-methyl-5-[[2-(2-methylpropylamino)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C18H21BrN6O2S — CID 164547836

IUPAC2-bromo-N-[2-methyl-5-[[2-(2-methylpropylamino)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCc1ncc(NC(=O)CNCC(C)C)cc1NC(=O)c1cnn2cc(Br)sc12
InChIInChI=1S/C18H21BrN6O2S/c1-10(2)5-20-8-16(26)23-12-4-14(11(3)21-6-12)24-17(27)13-7-22-25-9-15(19)28-18(13)25/h4,6-7,9-10,20H,5,8H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyGDOAIUREGCVNMV-UHFFFAOYSA-N
MW465.38 g/mol
LogP3.30
Rot. Bonds7

About 2-bromo-N-[2-methyl-5-[[2-(2-methylpropylamino)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

2-bromo-N-[2-methyl-5-[[2-(2-methylpropylamino)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 164547836) has the molecular formula C18H21BrN6O2S and a molecular weight of 465.38 g/mol. Its IUPAC name is 2-bromo-N-[2-methyl-5-[[2-(2-methylpropylamino)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[2-methyl-5-[[2-(2-methylpropylamino)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
PubChem CID164547836
Molecular FormulaC18H21BrN6O2S
Molecular Weight465.38 g/mol
Exact Mass464.06
IUPAC Name2-bromo-N-[2-methyl-5-[[2-(2-methylpropylamino)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCc1ncc(NC(=O)CNCC(C)C)cc1NC(=O)c1cnn2cc(Br)sc12
InChIInChI=1S/C18H21BrN6O2S/c1-10(2)5-20-8-16(26)23-12-4-14(11(3)21-6-12)24-17(27)13-7-22-25-9-15(19)28-18(13)25/h4,6-7,9-10,20H,5,8H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyGDOAIUREGCVNMV-UHFFFAOYSA-N
XLogP3.30
TPSA100.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.38
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-bromo-N-[2-methyl-5-[[2-(2-methylpropylamino)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide 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

2-bromo-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164548202
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-[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
N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-ethylpyrazol-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen
CID 164547084
2-(1,3-dimethylpyrazol-4-yl)-N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164548387
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
2-[1-(difluoromethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[methyl(oxan-4-yl)amino]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164548354
2-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[methyl(oxan-4-yl)amino]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164547092
2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[2-methyl-5-[3-(2-propan-2-ylpyrrolidin-1-yl)propanoylamino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 171663851
2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[2-methyl-5-[3-(1-propan-2-ylpyrrolidin-2-yl)propanoylamino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164548244
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
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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-methyl-5-[[2-(2-methylpropylamino)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The IUPAC name of 2-bromo-N-[2-methyl-5-[[2-(2-methylpropylamino)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 164547836) is 2-bromo-N-[2-methyl-5-[[2-(2-methylpropylamino)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.
What is the SMILES notation for 2-bromo-N-[2-methyl-5-[[2-(2-methylpropylamino)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The canonical SMILES for 2-bromo-N-[2-methyl-5-[[2-(2-methylpropylamino)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is Cc1ncc(NC(=O)CNCC(C)C)cc1NC(=O)c1cnn2cc(Br)sc12.
What is the InChIKey of 2-bromo-N-[2-methyl-5-[[2-(2-methylpropylamino)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The InChIKey is GDOAIUREGCVNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN6O2S/c1-10(2)5-20-8-16(26)23-12-4-14(11(3)21-6-12)24-17(27)13-7-22-25-9-15(19)28-18(13)25/h4,6-7,9-10,20H,5,8H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of 2-bromo-N-[2-methyl-5-[[2-(2-methylpropylamino)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
2-bromo-N-[2-methyl-5-[[2-(2-methylpropylamino)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 465.38 g/mol, XLogP of 3.30, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-methyl-5-[[2-(2-methylpropylamino)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 164547836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).