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

C23H28N8O2S — CID 167138635

About N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(1-methylpyrazol-4-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-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 167138635) has the molecular formula C23H28N8O2S and a molecular weight of 480.60 g/mol. Its IUPAC name is N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(1-methylpyrazol-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-1,2-dihydropyridin-3-yl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• PubChem CID: 167138635
• Molecular Formula: C23H28N8O2S
• Molecular Weight: 480.60 g/mol
• Exact Mass: 480.21
• IUPAC Name: N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• SMILES: CC1NC=C(NC(=O)CN2CC(C)(C)C2)C=C1NC(=O)c1cnn2cc(-c3cnn(C)c3)sc12
• InChI: InChI=1S/C23H28N8O2S/c1-14-18(5-16(7-24-14)27-20(32)11-30-12-23(2,3)13-30)28-21(33)17-8-26-31-10-19(34-22(17)31)15-6-25-29(4)9-15/h5-10,14,24H,11-13H2,1-4H3,(H,27,32)(H,28,33)
• InChIKey: YGKLQWUWYVWLBC-UHFFFAOYSA-N
• XLogP: 1.70
• TPSA: 108.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.60
LogP ≤ 5	1.70
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-(1-methylpyrazol-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-1,2-dihydropyridin-3-yl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 167138635) is N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(1-methylpyrazol-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-1,2-dihydropyridin-3-yl]-2-(1-methylpyrazol-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-1,2-dihydropyridin-3-yl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is CC1NC=C(NC(=O)CN2CC(C)(C)C2)C=C1NC(=O)c1cnn2cc(-c3cnn(C)c3)sc12.

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

The InChIKey is YGKLQWUWYVWLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8O2S/c1-14-18(5-16(7-24-14)27-20(32)11-30-12-23(2,3)13-30)28-21(33)17-8-26-31-10-19(34-22(17)31)15-6-25-29(4)9-15/h5-10,14,24H,11-13H2,1-4H3,(H,27,32)(H,28,33).

What are the key properties of N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(1-methylpyrazol-4-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-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 480.60 g/mol, XLogP of 1.70, 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-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 167138635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).