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

C24H22FN7O4 — CID 166100313

IUPAC2-[1-(2-cyano-5-fluorophenyl)-1-(1-ethylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
SMILESCCn1cc(C(c2cc(F)ccc2C#N)C(C)c2nc(C(=O)Nc3cnoc3)c(O)c(=O)n2C)cn1
InChIInChI=1S/C24H22FN7O4/c1-4-32-11-15(9-27-32)19(18-7-16(25)6-5-14(18)8-26)13(2)22-30-20(21(33)24(35)31(22)3)23(34)29-17-10-28-36-12-17/h5-7,9-13,19,33H,4H2,1-3H3,(H,29,34)
InChIKeyPZDKBEKGEDUGNX-UHFFFAOYSA-N
MW491.48 g/mol
LogP2.89
Rot. Bonds7

About 2-[1-(2-cyano-5-fluorophenyl)-1-(1-ethylpyrazol-4-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-(1-ethylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (PubChem CID 166100313) has the molecular formula C24H22FN7O4 and a molecular weight of 491.48 g/mol. Its IUPAC name is 2-[1-(2-cyano-5-fluorophenyl)-1-(1-ethylpyrazol-4-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-(1-ethylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
PubChem CID166100313
Molecular FormulaC24H22FN7O4
Molecular Weight491.48 g/mol
Exact Mass491.17
IUPAC Name2-[1-(2-cyano-5-fluorophenyl)-1-(1-ethylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
SMILESCCn1cc(C(c2cc(F)ccc2C#N)C(C)c2nc(C(=O)Nc3cnoc3)c(O)c(=O)n2C)cn1
InChIInChI=1S/C24H22FN7O4/c1-4-32-11-15(9-27-32)19(18-7-16(25)6-5-14(18)8-26)13(2)22-30-20(21(33)24(35)31(22)3)23(34)29-17-10-28-36-12-17/h5-7,9-13,19,33H,4H2,1-3H3,(H,29,34)
InChIKeyPZDKBEKGEDUGNX-UHFFFAOYSA-N
XLogP2.89
TPSA151.86 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.48
LogP ≤ 52.89
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-(1-ethylpyrazol-4-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-(1-ethylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (CID 166100313) is 2-[1-(2-cyano-5-fluorophenyl)-1-(1-ethylpyrazol-4-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-(1-ethylpyrazol-4-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-(1-ethylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is CCn1cc(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-(1-ethylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?
The InChIKey is PZDKBEKGEDUGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN7O4/c1-4-32-11-15(9-27-32)19(18-7-16(25)6-5-14(18)8-26)13(2)22-30-20(21(33)24(35)31(22)3)23(34)29-17-10-28-36-12-17/h5-7,9-13,19,33H,4H2,1-3H3,(H,29,34).
What are the key properties of 2-[1-(2-cyano-5-fluorophenyl)-1-(1-ethylpyrazol-4-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-(1-ethylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide has a molecular weight of 491.48 g/mol, XLogP of 2.89, 7 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-(1-ethylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 166100313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).