2-[(1S,2S)-1-(2-chloro-5-fluorophenyl)-1-(5,6-dimethylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide

C24H22ClFN6O4 — CID 170944430

About 2-[(1S,2S)-1-(2-chloro-5-fluorophenyl)-1-(5,6-dimethylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide

2-[(1S,2S)-1-(2-chloro-5-fluorophenyl)-1-(5,6-dimethylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (PubChem CID 170944430) has the molecular formula C24H22ClFN6O4 and a molecular weight of 512.93 g/mol. Its IUPAC name is 2-[(1S,2S)-1-(2-chloro-5-fluorophenyl)-1-(5,6-dimethylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 2-[(1S,2S)-1-(2-chloro-5-fluorophenyl)-1-(5,6-dimethylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
• PubChem CID: 170944430
• Molecular Formula: C24H22ClFN6O4
• Molecular Weight: 512.93 g/mol
• Exact Mass: 512.14
• IUPAC Name: 2-[(1S,2S)-1-(2-chloro-5-fluorophenyl)-1-(5,6-dimethylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
• SMILES: Cc1ncc([C@H](c2cc(F)ccc2Cl)[C@H](C)c2nc(C(=O)Nc3cnoc3)c(O)c(=O)n2C)nc1C
• InChI: InChI=1S/C24H22ClFN6O4/c1-11(19(16-7-14(26)5-6-17(16)25)18-9-27-12(2)13(3)29-18)22-31-20(21(33)24(35)32(22)4)23(34)30-15-8-28-36-10-15/h5-11,19,33H,1-4H3,(H,30,34)/t11-,19-/m0/s1
• InChIKey: GNTROWIKPNRCTQ-WLRWDXFRSA-N
• XLogP: 3.86
• TPSA: 136.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.93
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-1-(2-chloro-5-fluorophenyl)-1-(5,6-dimethylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?

The IUPAC name of 2-[(1S,2S)-1-(2-chloro-5-fluorophenyl)-1-(5,6-dimethylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (CID 170944430) is 2-[(1S,2S)-1-(2-chloro-5-fluorophenyl)-1-(5,6-dimethylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide.

What is the SMILES notation for 2-[(1S,2S)-1-(2-chloro-5-fluorophenyl)-1-(5,6-dimethylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?

The canonical SMILES for 2-[(1S,2S)-1-(2-chloro-5-fluorophenyl)-1-(5,6-dimethylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is Cc1ncc([C@H](c2cc(F)ccc2Cl)[C@H](C)c2nc(C(=O)Nc3cnoc3)c(O)c(=O)n2C)nc1C.

What is the InChIKey of 2-[(1S,2S)-1-(2-chloro-5-fluorophenyl)-1-(5,6-dimethylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?

The InChIKey is GNTROWIKPNRCTQ-WLRWDXFRSA-N. The full InChI is InChI=1S/C24H22ClFN6O4/c1-11(19(16-7-14(26)5-6-17(16)25)18-9-27-12(2)13(3)29-18)22-31-20(21(33)24(35)32(22)4)23(34)30-15-8-28-36-10-15/h5-11,19,33H,1-4H3,(H,30,34)/t11-,19-/m0/s1.

What are the key properties of 2-[(1S,2S)-1-(2-chloro-5-fluorophenyl)-1-(5,6-dimethylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?

2-[(1S,2S)-1-(2-chloro-5-fluorophenyl)-1-(5,6-dimethylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide has a molecular weight of 512.93 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1S,2S)-1-(2-chloro-5-fluorophenyl)-1-(5,6-dimethylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 170944430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).