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

C24H20FN7O4 — CID 166100083

IUPAC2-[1-(2-cyano-5-fluorophenyl)-1-(5-methylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
SMILESCc1cnc(C(c2cc(F)ccc2C#N)C(C)c2nc(C(=O)Nc3cnoc3)c(O)c(=O)n2C)cn1
InChIInChI=1S/C24H20FN7O4/c1-12-8-28-18(10-27-12)19(17-6-15(25)5-4-14(17)7-26)13(2)22-31-20(21(33)24(35)32(22)3)23(34)30-16-9-29-36-11-16/h4-6,8-11,13,19,33H,1-3H3,(H,30,34)
InChIKeyHQOLFEJFJOFTJP-UHFFFAOYSA-N
MW489.47 g/mol
LogP2.77
Rot. Bonds6

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

2-[1-(2-cyano-5-fluorophenyl)-1-(5-methylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (PubChem CID 166100083) has the molecular formula C24H20FN7O4 and a molecular weight of 489.47 g/mol. Its IUPAC name is 2-[1-(2-cyano-5-fluorophenyl)-1-(5-methylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[1-(2-cyano-5-fluorophenyl)-1-(5-methylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
PubChem CID166100083
Molecular FormulaC24H20FN7O4
Molecular Weight489.47 g/mol
Exact Mass489.16
IUPAC Name2-[1-(2-cyano-5-fluorophenyl)-1-(5-methylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
SMILESCc1cnc(C(c2cc(F)ccc2C#N)C(C)c2nc(C(=O)Nc3cnoc3)c(O)c(=O)n2C)cn1
InChIInChI=1S/C24H20FN7O4/c1-12-8-28-18(10-27-12)19(17-6-15(25)5-4-14(17)7-26)13(2)22-31-20(21(33)24(35)32(22)3)23(34)30-16-9-29-36-11-16/h4-6,8-11,13,19,33H,1-3H3,(H,30,34)
InChIKeyHQOLFEJFJOFTJP-UHFFFAOYSA-N
XLogP2.77
TPSA159.82 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.47
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-cyano-5-fluorophenyl)-1-(5-methylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?
The IUPAC name of 2-[1-(2-cyano-5-fluorophenyl)-1-(5-methylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (CID 166100083) is 2-[1-(2-cyano-5-fluorophenyl)-1-(5-methylpyrazin-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-[1-(2-cyano-5-fluorophenyl)-1-(5-methylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?
The canonical SMILES for 2-[1-(2-cyano-5-fluorophenyl)-1-(5-methylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is Cc1cnc(C(c2cc(F)ccc2C#N)C(C)c2nc(C(=O)Nc3cnoc3)c(O)c(=O)n2C)cn1.
What is the InChIKey of 2-[1-(2-cyano-5-fluorophenyl)-1-(5-methylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?
The InChIKey is HQOLFEJFJOFTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN7O4/c1-12-8-28-18(10-27-12)19(17-6-15(25)5-4-14(17)7-26)13(2)22-31-20(21(33)24(35)32(22)3)23(34)30-16-9-29-36-11-16/h4-6,8-11,13,19,33H,1-3H3,(H,30,34).
What are the key properties of 2-[1-(2-cyano-5-fluorophenyl)-1-(5-methylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?
2-[1-(2-cyano-5-fluorophenyl)-1-(5-methylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide has a molecular weight of 489.47 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-cyano-5-fluorophenyl)-1-(5-methylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 166100083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).