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

C24H28N8O2S — CID 167139749

About N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(4-methylpyrimidin-5-yl)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-(4-methylpyrimidin-5-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 167139749) has the molecular formula C24H28N8O2S and a molecular weight of 492.61 g/mol. Its IUPAC name is N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(4-methylpyrimidin-5-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-1,2-dihydropyridin-3-yl]-2-(4-methylpyrimidin-5-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• PubChem CID: 167139749
• Molecular Formula: C24H28N8O2S
• Molecular Weight: 492.61 g/mol
• Exact Mass: 492.21
• IUPAC Name: N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(4-methylpyrimidin-5-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• SMILES: Cc1ncncc1-c1cn2ncc(C(=O)NC3=CC(NC(=O)CN4CC(C)(C)C4)=CNC3C)c2s1
• InChI: InChI=1S/C24H28N8O2S/c1-14-17(7-25-13-27-14)20-9-32-23(35-20)18(8-28-32)22(34)30-19-5-16(6-26-15(19)2)29-21(33)10-31-11-24(3,4)12-31/h5-9,13,15,26H,10-12H2,1-4H3,(H,29,33)(H,30,34)
• InChIKey: VAHXRDPPPNATKR-UHFFFAOYSA-N
• XLogP: 2.07
• TPSA: 116.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.61
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	3
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-1,2-dihydropyridin-3-yl]-2-(4-methylpyrimidin-5-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-1,2-dihydropyridin-3-yl]-2-(4-methylpyrimidin-5-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 167139749) is N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(4-methylpyrimidin-5-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-1,2-dihydropyridin-3-yl]-2-(4-methylpyrimidin-5-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-1,2-dihydropyridin-3-yl]-2-(4-methylpyrimidin-5-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is Cc1ncncc1-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-(4-methylpyrimidin-5-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The InChIKey is VAHXRDPPPNATKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O2S/c1-14-17(7-25-13-27-14)20-9-32-23(35-20)18(8-28-32)22(34)30-19-5-16(6-26-15(19)2)29-21(33)10-31-11-24(3,4)12-31/h5-9,13,15,26H,10-12H2,1-4H3,(H,29,33)(H,30,34).

What are the key properties of N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(4-methylpyrimidin-5-yl)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-(4-methylpyrimidin-5-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 492.61 g/mol, XLogP of 2.07, 6 rotatable bonds, 3 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-1,2-dihydropyridin-3-yl]-2-(4-methylpyrimidin-5-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 167139749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).