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

C26H31N7O2S — CID 167138775

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

N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(2-ethyl-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 167138775) has the molecular formula C26H31N7O2S and a molecular weight of 505.65 g/mol. Its IUPAC name is N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(2-ethyl-3-pyridinyl)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-1,2-dihydropyridin-3-yl]-2-(2-ethyl-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• PubChem CID: 167138775
• Molecular Formula: C26H31N7O2S
• Molecular Weight: 505.65 g/mol
• Exact Mass: 505.23
• IUPAC Name: N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(2-ethyl-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• SMILES: CCc1ncccc1-c1cn2ncc(C(=O)NC3=CC(NC(=O)CN4CC(C)(C)C4)=CNC3C)c2s1
• InChI: InChI=1S/C26H31N7O2S/c1-5-20-18(7-6-8-27-20)22-12-33-25(36-22)19(11-29-33)24(35)31-21-9-17(10-28-16(21)2)30-23(34)13-32-14-26(3,4)15-32/h6-12,16,28H,5,13-15H2,1-4H3,(H,30,34)(H,31,35)
• InChIKey: XDUTXGHIGLKMBN-UHFFFAOYSA-N
• XLogP: 2.92
• TPSA: 103.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.65
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(2-ethyl-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-1,2-dihydropyridin-3-yl]-2-(2-ethyl-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 167138775) is N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(2-ethyl-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-1,2-dihydropyridin-3-yl]-2-(2-ethyl-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-1,2-dihydropyridin-3-yl]-2-(2-ethyl-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is CCc1ncccc1-c1cn2ncc(C(=O)NC3=CC(NC(=O)CN4CC(C)(C)C4)=CNC3C)c2s1.

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

The InChIKey is XDUTXGHIGLKMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O2S/c1-5-20-18(7-6-8-27-20)22-12-33-25(36-22)19(11-29-33)24(35)31-21-9-17(10-28-16(21)2)30-23(34)13-32-14-26(3,4)15-32/h6-12,16,28H,5,13-15H2,1-4H3,(H,30,34)(H,31,35).

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

N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(2-ethyl-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 505.65 g/mol, XLogP of 2.92, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(2-ethyl-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 167138775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).