N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C20H15FN4O3S — CID 78878950

About N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 78878950) has the molecular formula C20H15FN4O3S and a molecular weight of 410.43 g/mol. Its IUPAC name is N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
• PubChem CID: 78878950
• Molecular Formula: C20H15FN4O3S
• Molecular Weight: 410.43 g/mol
• Exact Mass: 410.08
• IUPAC Name: N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
• SMILES: COc1ccc(F)cc1-c1csc(NC(=O)c2cnc3ccc(C)cn3c2=O)n1
• InChI: InChI=1S/C20H15FN4O3S/c1-11-3-6-17-22-8-14(19(27)25(17)9-11)18(26)24-20-23-15(10-29-20)13-7-12(21)4-5-16(13)28-2/h3-10H,1-2H3,(H,23,24,26)
• InChIKey: HNWONAJZRZCORY-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 85.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.43
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 78878950) is N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is COc1ccc(F)cc1-c1csc(NC(=O)c2cnc3ccc(C)cn3c2=O)n1.

What is the InChIKey of N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?

The InChIKey is HNWONAJZRZCORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O3S/c1-11-3-6-17-22-8-14(19(27)25(17)9-11)18(26)24-20-23-15(10-29-20)13-7-12(21)4-5-16(13)28-2/h3-10H,1-2H3,(H,23,24,26).

What are the key properties of N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?

N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 410.43 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 78878950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).