N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C24H25F3N8O2S — CID 164547466

About N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 164547466) has the molecular formula C24H25F3N8O2S and a molecular weight of 546.58 g/mol. Its IUPAC name is N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

• Compound Name: N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• PubChem CID: 164547466
• Molecular Formula: C24H25F3N8O2S
• Molecular Weight: 546.58 g/mol
• Exact Mass: 546.18
• IUPAC Name: N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• SMILES: Cc1ncc(C(=O)NCCN2CCCC2)cc1NC(=O)c1cnn2cc(-c3cn(C)nc3C(F)(F)F)sc12
• InChI: InChI=1S/C24H25F3N8O2S/c1-14-18(9-15(10-29-14)21(36)28-5-8-34-6-3-4-7-34)31-22(37)16-11-30-35-13-19(38-23(16)35)17-12-33(2)32-20(17)24(25,26)27/h9-13H,3-8H2,1-2H3,(H,28,36)(H,31,37)
• InChIKey: FWYMISSETOHXDI-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 109.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	546.58
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The IUPAC name of N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 164547466) is N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

What is the SMILES notation for N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The canonical SMILES for N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is Cc1ncc(C(=O)NCCN2CCCC2)cc1NC(=O)c1cnn2cc(-c3cn(C)nc3C(F)(F)F)sc12.

What is the InChIKey of N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The InChIKey is FWYMISSETOHXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N8O2S/c1-14-18(9-15(10-29-14)21(36)28-5-8-34-6-3-4-7-34)31-22(37)16-11-30-35-13-19(38-23(16)35)17-12-33(2)32-20(17)24(25,26)27/h9-13H,3-8H2,1-2H3,(H,28,36)(H,31,37).

What are the key properties of N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 546.58 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 164547466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).