4-[4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N-methyl-1-(4-methylphenyl)pyrazole-5-carboxamide

C28H28N6O3S — CID 67185571

About 4-[4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N-methyl-1-(4-methylphenyl)pyrazole-5-carboxamide

4-[4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N-methyl-1-(4-methylphenyl)pyrazole-5-carboxamide (PubChem CID 67185571) has the molecular formula C28H28N6O3S and a molecular weight of 528.64 g/mol. Its IUPAC name is 4-[4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N-methyl-1-(4-methylphenyl)pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-[4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N-methyl-1-(4-methylphenyl)pyrazole-5-carboxamide
• PubChem CID: 67185571
• Molecular Formula: C28H28N6O3S
• Molecular Weight: 528.64 g/mol
• Exact Mass: 528.19
• IUPAC Name: 4-[4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N-methyl-1-(4-methylphenyl)pyrazole-5-carboxamide
• SMILES: CNC(=O)c1c(-c2ccc3c(c2)N(c2nc4c(s2)C(=O)NC(C)(C)C4)CCO3)cnn1-c1ccc(C)cc1
• InChI: InChI=1S/C28H28N6O3S/c1-16-5-8-18(9-6-16)34-23(25(35)29-4)19(15-30-34)17-7-10-22-21(13-17)33(11-12-37-22)27-31-20-14-28(2,3)32-26(36)24(20)38-27/h5-10,13,15H,11-12,14H2,1-4H3,(H,29,35)(H,32,36)
• InChIKey: RVQIUHAUBBLNGW-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 101.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.64
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N-methyl-1-(4-methylphenyl)pyrazole-5-carboxamide?

The IUPAC name of 4-[4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N-methyl-1-(4-methylphenyl)pyrazole-5-carboxamide (CID 67185571) is 4-[4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N-methyl-1-(4-methylphenyl)pyrazole-5-carboxamide.

What is the SMILES notation for 4-[4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N-methyl-1-(4-methylphenyl)pyrazole-5-carboxamide?

The canonical SMILES for 4-[4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N-methyl-1-(4-methylphenyl)pyrazole-5-carboxamide is CNC(=O)c1c(-c2ccc3c(c2)N(c2nc4c(s2)C(=O)NC(C)(C)C4)CCO3)cnn1-c1ccc(C)cc1.

What is the InChIKey of 4-[4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N-methyl-1-(4-methylphenyl)pyrazole-5-carboxamide?

The InChIKey is RVQIUHAUBBLNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O3S/c1-16-5-8-18(9-6-16)34-23(25(35)29-4)19(15-30-34)17-7-10-22-21(13-17)33(11-12-37-22)27-31-20-14-28(2,3)32-26(36)24(20)38-27/h5-10,13,15H,11-12,14H2,1-4H3,(H,29,35)(H,32,36).

What are the key properties of 4-[4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N-methyl-1-(4-methylphenyl)pyrazole-5-carboxamide?

4-[4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N-methyl-1-(4-methylphenyl)pyrazole-5-carboxamide has a molecular weight of 528.64 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N-methyl-1-(4-methylphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 67185571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).