2-[1-(2-cyanophenyl)-1-[5-(trifluoromethyl)pyrazin-2-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide

C24H18F3N7O4 — CID 166100035

IUPAC2-[1-(2-cyanophenyl)-1-[5-(trifluoromethyl)pyrazin-2-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
SMILESCC(c1nc(C(=O)Nc2cnoc2)c(O)c(=O)n1C)C(c1cnc(C(F)(F)F)cn1)c1ccccc1C#N
InChIInChI=1S/C24H18F3N7O4/c1-12(21-33-19(20(35)23(37)34(21)2)22(36)32-14-8-31-38-11-14)18(15-6-4-3-5-13(15)7-28)16-9-30-17(10-29-16)24(25,26)27/h3-6,8-12,18,35H,1-2H3,(H,32,36)
InChIKeyRDNFNARNWIVRRW-UHFFFAOYSA-N
MW525.45 g/mol
LogP3.34
Rot. Bonds6

About 2-[1-(2-cyanophenyl)-1-[5-(trifluoromethyl)pyrazin-2-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide

2-[1-(2-cyanophenyl)-1-[5-(trifluoromethyl)pyrazin-2-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (PubChem CID 166100035) has the molecular formula C24H18F3N7O4 and a molecular weight of 525.45 g/mol. Its IUPAC name is 2-[1-(2-cyanophenyl)-1-[5-(trifluoromethyl)pyrazin-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-cyanophenyl)-1-[5-(trifluoromethyl)pyrazin-2-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
PubChem CID166100035
Molecular FormulaC24H18F3N7O4
Molecular Weight525.45 g/mol
Exact Mass525.14
IUPAC Name2-[1-(2-cyanophenyl)-1-[5-(trifluoromethyl)pyrazin-2-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
SMILESCC(c1nc(C(=O)Nc2cnoc2)c(O)c(=O)n1C)C(c1cnc(C(F)(F)F)cn1)c1ccccc1C#N
InChIInChI=1S/C24H18F3N7O4/c1-12(21-33-19(20(35)23(37)34(21)2)22(36)32-14-8-31-38-11-14)18(15-6-4-3-5-13(15)7-28)16-9-30-17(10-29-16)24(25,26)27/h3-6,8-12,18,35H,1-2H3,(H,32,36)
InChIKeyRDNFNARNWIVRRW-UHFFFAOYSA-N
XLogP3.34
TPSA159.82 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.45
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-cyanophenyl)-1-[5-(trifluoromethyl)pyrazin-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-cyanophenyl)-1-[5-(trifluoromethyl)pyrazin-2-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (CID 166100035) is 2-[1-(2-cyanophenyl)-1-[5-(trifluoromethyl)pyrazin-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-cyanophenyl)-1-[5-(trifluoromethyl)pyrazin-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-cyanophenyl)-1-[5-(trifluoromethyl)pyrazin-2-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is CC(c1nc(C(=O)Nc2cnoc2)c(O)c(=O)n1C)C(c1cnc(C(F)(F)F)cn1)c1ccccc1C#N.
What is the InChIKey of 2-[1-(2-cyanophenyl)-1-[5-(trifluoromethyl)pyrazin-2-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?
The InChIKey is RDNFNARNWIVRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N7O4/c1-12(21-33-19(20(35)23(37)34(21)2)22(36)32-14-8-31-38-11-14)18(15-6-4-3-5-13(15)7-28)16-9-30-17(10-29-16)24(25,26)27/h3-6,8-12,18,35H,1-2H3,(H,32,36).
What are the key properties of 2-[1-(2-cyanophenyl)-1-[5-(trifluoromethyl)pyrazin-2-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?
2-[1-(2-cyanophenyl)-1-[5-(trifluoromethyl)pyrazin-2-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide has a molecular weight of 525.45 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-cyanophenyl)-1-[5-(trifluoromethyl)pyrazin-2-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 166100035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).