7-chloro-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

C22H19ClFN5O3 — CID 178051763

About 7-chloro-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

7-chloro-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (PubChem CID 178051763) has the molecular formula C22H19ClFN5O3 and a molecular weight of 455.88 g/mol. Its IUPAC name is 7-chloro-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 7-chloro-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
• PubChem CID: 178051763
• Molecular Formula: C22H19ClFN5O3
• Molecular Weight: 455.88 g/mol
• Exact Mass: 455.12
• IUPAC Name: 7-chloro-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
• SMILES: Cc1ccc(-c2noc([C@H]3C[C@@H]3F)n2)cc1NC(=O)C1(C)CC(=O)N=C2C=CC(Cl)=CN21
• InChI: InChI=1S/C22H19ClFN5O3/c1-11-3-4-12(19-27-20(32-28-19)14-8-15(14)24)7-16(11)25-21(31)22(2)9-18(30)26-17-6-5-13(23)10-29(17)22/h3-7,10,14-15H,8-9H2,1-2H3,(H,25,31)/t14-,15-,22?/m0/s1
• InChIKey: PSLTXIZZWIUQNJ-OREHTWHSSA-N
• XLogP: 3.85
• TPSA: 100.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.88
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?

The IUPAC name of 7-chloro-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (CID 178051763) is 7-chloro-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.

What is the SMILES notation for 7-chloro-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?

The canonical SMILES for 7-chloro-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is Cc1ccc(-c2noc([C@H]3C[C@@H]3F)n2)cc1NC(=O)C1(C)CC(=O)N=C2C=CC(Cl)=CN21.

What is the InChIKey of 7-chloro-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?

The InChIKey is PSLTXIZZWIUQNJ-OREHTWHSSA-N. The full InChI is InChI=1S/C22H19ClFN5O3/c1-11-3-4-12(19-27-20(32-28-19)14-8-15(14)24)7-16(11)25-21(31)22(2)9-18(30)26-17-6-5-13(23)10-29(17)22/h3-7,10,14-15H,8-9H2,1-2H3,(H,25,31)/t14-,15-,22?/m0/s1.

What are the key properties of 7-chloro-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?

7-chloro-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide has a molecular weight of 455.88 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is sourced from PubChem (CID 178051763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).