N-[5-[[2-(cyclobutylamino)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C24H28N8O3S — CID 167139826

About N-[5-[[2-(cyclobutylamino)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

N-[5-[[2-(cyclobutylamino)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 167139826) has the molecular formula C24H28N8O3S and a molecular weight of 508.61 g/mol. Its IUPAC name is N-[5-[[2-(cyclobutylamino)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

• Compound Name: N-[5-[[2-(cyclobutylamino)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• PubChem CID: 167139826
• Molecular Formula: C24H28N8O3S
• Molecular Weight: 508.61 g/mol
• Exact Mass: 508.20
• IUPAC Name: N-[5-[[2-(cyclobutylamino)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• SMILES: CC1NC=C(NC(=O)CNC2CCC2)C=C1NC(=O)c1cnn2cc(-c3cnn4c3OCCC4)sc12
• InChI: InChI=1S/C24H28N8O3S/c1-14-19(8-16(9-25-14)29-21(33)12-26-15-4-2-5-15)30-22(34)18-11-28-32-13-20(36-24(18)32)17-10-27-31-6-3-7-35-23(17)31/h8-11,13-15,25-26H,2-7,12H2,1H3,(H,29,33)(H,30,34)
• InChIKey: RDTUFYURTBPFSY-UHFFFAOYSA-N
• XLogP: 1.75
• TPSA: 126.61 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.61
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(cyclobutylamino)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The IUPAC name of N-[5-[[2-(cyclobutylamino)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 167139826) is N-[5-[[2-(cyclobutylamino)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

What is the SMILES notation for N-[5-[[2-(cyclobutylamino)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The canonical SMILES for N-[5-[[2-(cyclobutylamino)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is CC1NC=C(NC(=O)CNC2CCC2)C=C1NC(=O)c1cnn2cc(-c3cnn4c3OCCC4)sc12.

What is the InChIKey of N-[5-[[2-(cyclobutylamino)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The InChIKey is RDTUFYURTBPFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O3S/c1-14-19(8-16(9-25-14)29-21(33)12-26-15-4-2-5-15)30-22(34)18-11-28-32-13-20(36-24(18)32)17-10-27-31-6-3-7-35-23(17)31/h8-11,13-15,25-26H,2-7,12H2,1H3,(H,29,33)(H,30,34).

What are the key properties of N-[5-[[2-(cyclobutylamino)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

N-[5-[[2-(cyclobutylamino)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 508.61 g/mol, XLogP of 1.75, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[2-(cyclobutylamino)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 167139826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).