N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C24H25F3N8O2S — CID 164547664

About N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 164547664) has the molecular formula C24H25F3N8O2S and a molecular weight of 546.58 g/mol. Its IUPAC name is N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

• Compound Name: N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• PubChem CID: 164547664
• Molecular Formula: C24H25F3N8O2S
• Molecular Weight: 546.58 g/mol
• Exact Mass: 546.18
• IUPAC Name: N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• SMILES: Cc1ncc(NC(=O)CN2CC(C)(C)C2)cc1NC(=O)c1cnn2cc(-c3cnn(CC(F)(F)F)c3)sc12
• InChI: InChI=1S/C24H25F3N8O2S/c1-14-18(4-16(6-28-14)31-20(36)10-33-11-23(2,3)12-33)32-21(37)17-7-30-35-9-19(38-22(17)35)15-5-29-34(8-15)13-24(25,26)27/h4-9H,10-13H2,1-3H3,(H,31,36)(H,32,37)
• InChIKey: KEZLXRFXBQCHIZ-UHFFFAOYSA-N
• XLogP: 4.06
• 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	4.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]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-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 164547664) is N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]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-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]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-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is Cc1ncc(NC(=O)CN2CC(C)(C)C2)cc1NC(=O)c1cnn2cc(-c3cnn(CC(F)(F)F)c3)sc12.

What is the InChIKey of N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The InChIKey is KEZLXRFXBQCHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N8O2S/c1-14-18(4-16(6-28-14)31-20(36)10-33-11-23(2,3)12-33)32-21(37)17-7-30-35-9-19(38-22(17)35)15-5-29-34(8-15)13-24(25,26)27/h4-9H,10-13H2,1-3H3,(H,31,36)(H,32,37).

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

N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 546.58 g/mol, XLogP of 4.06, 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-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 164547664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).