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

C25H24F3N7O3S — CID 164547355

IUPACN-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[2-(trifluoromethoxy)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCc1ncc(NC(=O)CN2CC(C)(C)C2)cc1NC(=O)c1cnn2cc(-c3cccnc3OC(F)(F)F)sc12
InChIInChI=1S/C25H24F3N7O3S/c1-14-18(7-15(8-30-14)32-20(36)11-34-12-24(2,3)13-34)33-21(37)17-9-31-35-10-19(39-23(17)35)16-5-4-6-29-22(16)38-25(26,27)28/h4-10H,11-13H2,1-3H3,(H,32,36)(H,33,37)
InChIKeyYMZRKYWRUKEXGK-UHFFFAOYSA-N
MW559.57 g/mol
LogP4.59
Rot. Bonds7

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

N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[2-(trifluoromethoxy)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 164547355) has the molecular formula C25H24F3N7O3S and a molecular weight of 559.57 g/mol. Its IUPAC name is N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[2-(trifluoromethoxy)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

Compound NameN-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[2-(trifluoromethoxy)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
PubChem CID164547355
Molecular FormulaC25H24F3N7O3S
Molecular Weight559.57 g/mol
Exact Mass559.16
IUPAC NameN-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[2-(trifluoromethoxy)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCc1ncc(NC(=O)CN2CC(C)(C)C2)cc1NC(=O)c1cnn2cc(-c3cccnc3OC(F)(F)F)sc12
InChIInChI=1S/C25H24F3N7O3S/c1-14-18(7-15(8-30-14)32-20(36)11-34-12-24(2,3)13-34)33-21(37)17-9-31-35-10-19(39-23(17)35)16-5-4-6-29-22(16)38-25(26,27)28/h4-10H,11-13H2,1-3H3,(H,32,36)(H,33,37)
InChIKeyYMZRKYWRUKEXGK-UHFFFAOYSA-N
XLogP4.59
TPSA113.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.57
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[2-(trifluoromethoxy)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide with MolForge

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Related Compounds

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US20240109917, Example 269
CID 164547676
US20240109917, Example 448
CID 164547758
N-(6-methoxy-3-pyridinyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 24391194
2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-[3-pyridin-2-yl-1-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 122644486
2-(3-fluoroazetidin-1-yl)-N-[13-(2-methoxy-3-pyridinyl)-9-oxo-12-thia-3,8,15,16-tetrazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(16),2(7),3,5,10,13-hexaen-5-yl]acetamide
CID 167138870
2-(3,3-dimethylazetidin-1-yl)-N-[9-oxo-13-[2-(trifluoromethoxy)-3-pyridinyl]-12-thia-3,8,15,16-tetrazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(16),2(7),3,5,10,13-hexaen-5-yl]acetamide
CID 167139052
N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-fluoro-4-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 170635878
N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(6-fluoro-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 170635896
N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[6-(2-fluoroethoxy)-2-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 170635959

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[2-(trifluoromethoxy)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The IUPAC name of N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[2-(trifluoromethoxy)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 164547355) is N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[2-(trifluoromethoxy)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.
What is the SMILES notation for N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[2-(trifluoromethoxy)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The canonical SMILES for N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[2-(trifluoromethoxy)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is Cc1ncc(NC(=O)CN2CC(C)(C)C2)cc1NC(=O)c1cnn2cc(-c3cccnc3OC(F)(F)F)sc12.
What is the InChIKey of N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[2-(trifluoromethoxy)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The InChIKey is YMZRKYWRUKEXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N7O3S/c1-14-18(7-15(8-30-14)32-20(36)11-34-12-24(2,3)13-34)33-21(37)17-9-31-35-10-19(39-23(17)35)16-5-4-6-29-22(16)38-25(26,27)28/h4-10H,11-13H2,1-3H3,(H,32,36)(H,33,37).
What are the key properties of N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[2-(trifluoromethoxy)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[2-(trifluoromethoxy)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 559.57 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[2-(trifluoromethoxy)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 164547355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).