6-(difluoromethyl)-3-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one

C20H20F2N4O2 — CID 126943804

IUPAC6-(difluoromethyl)-3-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=C(c1c[nH]c2ccccc12)N1CCC(Cn2cnc(C(F)F)cc2=O)CC1
InChIInChI=1S/C20H20F2N4O2/c21-19(22)17-9-18(27)26(12-24-17)11-13-5-7-25(8-6-13)20(28)15-10-23-16-4-2-1-3-14(15)16/h1-4,9-10,12-13,19,23H,5-8,11H2
InChIKeyATGMHWJSMDBSGP-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.21
Rot. Bonds4

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

6-(difluoromethyl)-3-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126943804) has the molecular formula C20H20F2N4O2 and a molecular weight of 386.40 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-(difluoromethyl)-3-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126943804
Molecular FormulaC20H20F2N4O2
Molecular Weight386.40 g/mol
Exact Mass386.16
IUPAC Name6-(difluoromethyl)-3-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=C(c1c[nH]c2ccccc12)N1CCC(Cn2cnc(C(F)F)cc2=O)CC1
InChIInChI=1S/C20H20F2N4O2/c21-19(22)17-9-18(27)26(12-24-17)11-13-5-7-25(8-6-13)20(28)15-10-23-16-4-2-1-3-14(15)16/h1-4,9-10,12-13,19,23H,5-8,11H2
InChIKeyATGMHWJSMDBSGP-UHFFFAOYSA-N
XLogP3.21
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

3-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
CID 126941047
6-(difluoromethyl)-3-[[1-(quinoline-6-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126943865
3-[[1-(1H-indole-4-carbonyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942543
6-(difluoromethyl)-3-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126943817
6-(difluoromethyl)-3-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126943978
3-[[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942023
3-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one
CID 126944098
6-(difluoromethyl)-3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126943835
(3-ethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone
CID 113253973
3-[(1-cyclohexylpiperidin-4-yl)methyl]-6-(difluoromethyl)pyrimidin-4-one
CID 126943917
6-(difluoromethyl)-3-[[1-(2-methylpropyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126943916
6-(difluoromethyl)-3-[[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944171

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 6-(difluoromethyl)-3-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126943804) is 6-(difluoromethyl)-3-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 6-(difluoromethyl)-3-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 6-(difluoromethyl)-3-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one is O=C(c1c[nH]c2ccccc12)N1CCC(Cn2cnc(C(F)F)cc2=O)CC1.
What is the InChIKey of 6-(difluoromethyl)-3-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is ATGMHWJSMDBSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O2/c21-19(22)17-9-18(27)26(12-24-17)11-13-5-7-25(8-6-13)20(28)15-10-23-16-4-2-1-3-14(15)16/h1-4,9-10,12-13,19,23H,5-8,11H2.
What are the key properties of 6-(difluoromethyl)-3-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
6-(difluoromethyl)-3-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 386.40 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126943804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).