1-(difluoromethyl)-5-[4-[[2-(2-ethyl-4-methylphenyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridin-2-one

C24H25F2N3O2 — CID 123494663

IUPAC1-(difluoromethyl)-5-[4-[[2-(2-ethyl-4-methylphenyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridin-2-one
SMILESCCc1cc(C)ccc1C1CC1COc1nc(C)ncc1-c1ccc(=O)n(C(F)F)c1
InChIInChI=1S/C24H25F2N3O2/c1-4-16-9-14(2)5-7-19(16)20-10-18(20)13-31-23-21(11-27-15(3)28-23)17-6-8-22(30)29(12-17)24(25)26/h5-9,11-12,18,20,24H,4,10,13H2,1-3H3
InChIKeyKNAUVAVHHHSEGT-UHFFFAOYSA-N
MW425.48 g/mol
LogP5.06
Rot. Bonds7

About 1-(difluoromethyl)-5-[4-[[2-(2-ethyl-4-methylphenyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridin-2-one

1-(difluoromethyl)-5-[4-[[2-(2-ethyl-4-methylphenyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridin-2-one (PubChem CID 123494663) has the molecular formula C24H25F2N3O2 and a molecular weight of 425.48 g/mol. Its IUPAC name is 1-(difluoromethyl)-5-[4-[[2-(2-ethyl-4-methylphenyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridin-2-one.

Molecular Properties

Compound Name1-(difluoromethyl)-5-[4-[[2-(2-ethyl-4-methylphenyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridin-2-one
PubChem CID123494663
Molecular FormulaC24H25F2N3O2
Molecular Weight425.48 g/mol
Exact Mass425.19
IUPAC Name1-(difluoromethyl)-5-[4-[[2-(2-ethyl-4-methylphenyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridin-2-one
SMILESCCc1cc(C)ccc1C1CC1COc1nc(C)ncc1-c1ccc(=O)n(C(F)F)c1
InChIInChI=1S/C24H25F2N3O2/c1-4-16-9-14(2)5-7-19(16)20-10-18(20)13-31-23-21(11-27-15(3)28-23)17-6-8-22(30)29(12-17)24(25)26/h5-9,11-12,18,20,24H,4,10,13H2,1-3H3
InChIKeyKNAUVAVHHHSEGT-UHFFFAOYSA-N
XLogP5.06
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.48
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-5-[4-[[2-(2-ethyl-4-methylphenyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridin-2-one?
The IUPAC name of 1-(difluoromethyl)-5-[4-[[2-(2-ethyl-4-methylphenyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridin-2-one (CID 123494663) is 1-(difluoromethyl)-5-[4-[[2-(2-ethyl-4-methylphenyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridin-2-one.
What is the SMILES notation for 1-(difluoromethyl)-5-[4-[[2-(2-ethyl-4-methylphenyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridin-2-one?
The canonical SMILES for 1-(difluoromethyl)-5-[4-[[2-(2-ethyl-4-methylphenyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridin-2-one is CCc1cc(C)ccc1C1CC1COc1nc(C)ncc1-c1ccc(=O)n(C(F)F)c1.
What is the InChIKey of 1-(difluoromethyl)-5-[4-[[2-(2-ethyl-4-methylphenyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridin-2-one?
The InChIKey is KNAUVAVHHHSEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N3O2/c1-4-16-9-14(2)5-7-19(16)20-10-18(20)13-31-23-21(11-27-15(3)28-23)17-6-8-22(30)29(12-17)24(25)26/h5-9,11-12,18,20,24H,4,10,13H2,1-3H3.
What are the key properties of 1-(difluoromethyl)-5-[4-[[2-(2-ethyl-4-methylphenyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridin-2-one?
1-(difluoromethyl)-5-[4-[[2-(2-ethyl-4-methylphenyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridin-2-one has a molecular weight of 425.48 g/mol, XLogP of 5.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-5-[4-[[2-(2-ethyl-4-methylphenyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridin-2-one is sourced from PubChem (CID 123494663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).