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

C21H20F2N4O3 — CID 123583098

IUPAC1-(difluoromethyl)-5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridin-2-one
SMILESCOc1ccc(C2CC2COc2nc(C)ncc2-c2ccc(=O)n(C(F)F)c2)nc1
InChIInChI=1S/C21H20F2N4O3/c1-12-24-9-17(13-3-6-19(28)27(10-13)21(22)23)20(26-12)30-11-14-7-16(14)18-5-4-15(29-2)8-25-18/h3-6,8-10,14,16,21H,7,11H2,1-2H3
InChIKeyKPWFDKPYTIGDHK-UHFFFAOYSA-N
MW414.41 g/mol
LogP3.59
Rot. Bonds7

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

1-(difluoromethyl)-5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridin-2-one (PubChem CID 123583098) has the molecular formula C21H20F2N4O3 and a molecular weight of 414.41 g/mol. Its IUPAC name is 1-(difluoromethyl)-5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridin-2-one.

Molecular Properties

Compound Name1-(difluoromethyl)-5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridin-2-one
PubChem CID123583098
Molecular FormulaC21H20F2N4O3
Molecular Weight414.41 g/mol
Exact Mass414.15
IUPAC Name1-(difluoromethyl)-5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridin-2-one
SMILESCOc1ccc(C2CC2COc2nc(C)ncc2-c2ccc(=O)n(C(F)F)c2)nc1
InChIInChI=1S/C21H20F2N4O3/c1-12-24-9-17(13-3-6-19(28)27(10-13)21(22)23)20(26-12)30-11-14-7-16(14)18-5-4-15(29-2)8-25-18/h3-6,8-10,14,16,21H,7,11H2,1-2H3
InChIKeyKPWFDKPYTIGDHK-UHFFFAOYSA-N
XLogP3.59
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.41
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(difluoromethyl)-5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridin-2-one with MolForge

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Related Compounds

5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methylpyridazin-3-one
CID 118434178
4-[4-[[(1S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]benzoic acid
CID 118474071
4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[1-(3-methylbutyl)pyrazol-4-yl]pyrimidine
CID 71085899
3-[4-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]phenyl]-1,2,4-oxadiazole
CID 123839926
4-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1,2-oxazol-5-one
CID 123602873
1-ethyl-5-[2-methyl-4-[[2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one
CID 129159916
4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[6-(2H-tetrazol-5-yl)-3-pyridinyl]pyrimidine
CID 123528273
4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]pyrimidine
CID 123278187
5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1,3-thiazole
CID 71488705
2-[[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]oxy]propane-1,3-diol
CID 123269816
3-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1H-pyrazol-5-one
CID 123326964
5-(3-methoxy-1-methylpyrazol-5-yl)-4-[[(2R)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine
CID 144632580

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridin-2-one?
The IUPAC name of 1-(difluoromethyl)-5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridin-2-one (CID 123583098) is 1-(difluoromethyl)-5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridin-2-one.
What is the SMILES notation for 1-(difluoromethyl)-5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridin-2-one?
The canonical SMILES for 1-(difluoromethyl)-5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridin-2-one is COc1ccc(C2CC2COc2nc(C)ncc2-c2ccc(=O)n(C(F)F)c2)nc1.
What is the InChIKey of 1-(difluoromethyl)-5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridin-2-one?
The InChIKey is KPWFDKPYTIGDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O3/c1-12-24-9-17(13-3-6-19(28)27(10-13)21(22)23)20(26-12)30-11-14-7-16(14)18-5-4-15(29-2)8-25-18/h3-6,8-10,14,16,21H,7,11H2,1-2H3.
What are the key properties of 1-(difluoromethyl)-5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridin-2-one?
1-(difluoromethyl)-5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridin-2-one has a molecular weight of 414.41 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridin-2-one is sourced from PubChem (CID 123583098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).