6-(difluoromethyl)-3-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]pyrimidin-4-one

C20H21F2N5O — CID 126943978

IUPAC6-(difluoromethyl)-3-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1nnc(N2CCC(Cn3cnc(C(F)F)cc3=O)CC2)c2ccccc12
InChIInChI=1S/C20H21F2N5O/c1-13-15-4-2-3-5-16(15)20(25-24-13)26-8-6-14(7-9-26)11-27-12-23-17(19(21)22)10-18(27)28/h2-5,10,12,14,19H,6-9,11H2,1H3
InChIKeyAFQFGKMTXWXOIN-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.35
Rot. Bonds4

About 6-(difluoromethyl)-3-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]pyrimidin-4-one

6-(difluoromethyl)-3-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126943978) has the molecular formula C20H21F2N5O and a molecular weight of 385.42 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-(difluoromethyl)-3-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126943978
Molecular FormulaC20H21F2N5O
Molecular Weight385.42 g/mol
Exact Mass385.17
IUPAC Name6-(difluoromethyl)-3-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1nnc(N2CCC(Cn3cnc(C(F)F)cc3=O)CC2)c2ccccc12
InChIInChI=1S/C20H21F2N5O/c1-13-15-4-2-3-5-16(15)20(25-24-13)26-8-6-14(7-9-26)11-27-12-23-17(19(21)22)10-18(27)28/h2-5,10,12,14,19H,6-9,11H2,1H3
InChIKeyAFQFGKMTXWXOIN-UHFFFAOYSA-N
XLogP3.35
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(difluoromethyl)-3-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]pyrimidin-4-one with MolForge

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Related Compounds

6-cyclopropyl-3-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941716
3-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944879
6-(difluoromethyl)-3-[[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126943949
3-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942191
6-(difluoromethyl)-3-[[1-(2-methylpropyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126943916
6-(difluoromethyl)-3-[[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944130
3-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one
CID 126944098
3-[[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one
CID 126944124
2-[4-[[4-(difluoromethyl)-6-oxopyrimidin-1-yl]methyl]piperidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one
CID 126944196
6-(difluoromethyl)-3-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126943804
3-[(1-cyclohexylpiperidin-4-yl)methyl]-6-(difluoromethyl)pyrimidin-4-one
CID 126943917
2-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126864422

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 6-(difluoromethyl)-3-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126943978) is 6-(difluoromethyl)-3-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 6-(difluoromethyl)-3-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 6-(difluoromethyl)-3-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]pyrimidin-4-one is Cc1nnc(N2CCC(Cn3cnc(C(F)F)cc3=O)CC2)c2ccccc12.
What is the InChIKey of 6-(difluoromethyl)-3-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is AFQFGKMTXWXOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N5O/c1-13-15-4-2-3-5-16(15)20(25-24-13)26-8-6-14(7-9-26)11-27-12-23-17(19(21)22)10-18(27)28/h2-5,10,12,14,19H,6-9,11H2,1H3.
What are the key properties of 6-(difluoromethyl)-3-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
6-(difluoromethyl)-3-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 385.42 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126943978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).