4-[(4-fluorophenyl)methoxy]-3,6-dimethyl-1-[5-methyl-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one

C27H27FN4O2 — CID 67775935

IUPAC4-[(4-fluorophenyl)methoxy]-3,6-dimethyl-1-[5-methyl-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one
SMILESCc1cnc(-c2ccnc(C(C)C)n2)cc1-n1c(C)cc(OCc2ccc(F)cc2)c(C)c1=O
InChIInChI=1S/C27H27FN4O2/c1-16(2)26-29-11-10-22(31-26)23-13-24(17(3)14-30-23)32-18(4)12-25(19(5)27(32)33)34-15-20-6-8-21(28)9-7-20/h6-14,16H,15H2,1-5H3
InChIKeyMCYGEHPMRPCIKE-UHFFFAOYSA-N
MW458.54 g/mol
LogP5.46
Rot. Bonds6

About 4-[(4-fluorophenyl)methoxy]-3,6-dimethyl-1-[5-methyl-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one

4-[(4-fluorophenyl)methoxy]-3,6-dimethyl-1-[5-methyl-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one (PubChem CID 67775935) has the molecular formula C27H27FN4O2 and a molecular weight of 458.54 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methoxy]-3,6-dimethyl-1-[5-methyl-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methoxy]-3,6-dimethyl-1-[5-methyl-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one
PubChem CID67775935
Molecular FormulaC27H27FN4O2
Molecular Weight458.54 g/mol
Exact Mass458.21
IUPAC Name4-[(4-fluorophenyl)methoxy]-3,6-dimethyl-1-[5-methyl-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one
SMILESCc1cnc(-c2ccnc(C(C)C)n2)cc1-n1c(C)cc(OCc2ccc(F)cc2)c(C)c1=O
InChIInChI=1S/C27H27FN4O2/c1-16(2)26-29-11-10-22(31-26)23-13-24(17(3)14-30-23)32-18(4)12-25(19(5)27(32)33)34-15-20-6-8-21(28)9-7-20/h6-14,16H,15H2,1-5H3
InChIKeyMCYGEHPMRPCIKE-UHFFFAOYSA-N
XLogP5.46
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.54
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methoxy]-3,6-dimethyl-1-[5-methyl-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one?
The IUPAC name of 4-[(4-fluorophenyl)methoxy]-3,6-dimethyl-1-[5-methyl-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one (CID 67775935) is 4-[(4-fluorophenyl)methoxy]-3,6-dimethyl-1-[5-methyl-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one.
What is the SMILES notation for 4-[(4-fluorophenyl)methoxy]-3,6-dimethyl-1-[5-methyl-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one?
The canonical SMILES for 4-[(4-fluorophenyl)methoxy]-3,6-dimethyl-1-[5-methyl-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one is Cc1cnc(-c2ccnc(C(C)C)n2)cc1-n1c(C)cc(OCc2ccc(F)cc2)c(C)c1=O.
What is the InChIKey of 4-[(4-fluorophenyl)methoxy]-3,6-dimethyl-1-[5-methyl-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one?
The InChIKey is MCYGEHPMRPCIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN4O2/c1-16(2)26-29-11-10-22(31-26)23-13-24(17(3)14-30-23)32-18(4)12-25(19(5)27(32)33)34-15-20-6-8-21(28)9-7-20/h6-14,16H,15H2,1-5H3.
What are the key properties of 4-[(4-fluorophenyl)methoxy]-3,6-dimethyl-1-[5-methyl-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one?
4-[(4-fluorophenyl)methoxy]-3,6-dimethyl-1-[5-methyl-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one has a molecular weight of 458.54 g/mol, XLogP of 5.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methoxy]-3,6-dimethyl-1-[5-methyl-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one is sourced from PubChem (CID 67775935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).