4-[[4-[2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1-methylpyridin-2-one

C19H22F3N5O — CID 154882632

IUPAC4-[[4-[2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1-methylpyridin-2-one
SMILESCn1ccc(CN2CCN(c3cc(C(F)(F)F)nc(C4CC4)n3)CC2)cc1=O
InChIInChI=1S/C19H22F3N5O/c1-25-5-4-13(10-17(25)28)12-26-6-8-27(9-7-26)16-11-15(19(20,21)22)23-18(24-16)14-2-3-14/h4-5,10-11,14H,2-3,6-9,12H2,1H3
InChIKeyWTFLKVNRBUMBQL-UHFFFAOYSA-N
MW393.41 g/mol
LogP2.39
Rot. Bonds4

About 4-[[4-[2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1-methylpyridin-2-one

4-[[4-[2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1-methylpyridin-2-one (PubChem CID 154882632) has the molecular formula C19H22F3N5O and a molecular weight of 393.41 g/mol. Its IUPAC name is 4-[[4-[2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[[4-[2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1-methylpyridin-2-one
PubChem CID154882632
Molecular FormulaC19H22F3N5O
Molecular Weight393.41 g/mol
Exact Mass393.18
IUPAC Name4-[[4-[2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1-methylpyridin-2-one
SMILESCn1ccc(CN2CCN(c3cc(C(F)(F)F)nc(C4CC4)n3)CC2)cc1=O
InChIInChI=1S/C19H22F3N5O/c1-25-5-4-13(10-17(25)28)12-26-6-8-27(9-7-26)16-11-15(19(20,21)22)23-18(24-16)14-2-3-14/h4-5,10-11,14H,2-3,6-9,12H2,1H3
InChIKeyWTFLKVNRBUMBQL-UHFFFAOYSA-N
XLogP2.39
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[4-[2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1-methylpyridin-2-one with MolForge

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Related Compounds

4-[[4-[2-cyclopropyl-6-(oxan-4-yl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1-methylpyridin-2-one
CID 155980384
4-[[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1-methylpyridin-2-one
CID 154582463
4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1-methylpyridin-2-one
CID 75461517
1-methyl-4-[[3-(trifluoromethyl)azetidin-1-yl]methyl]pyridin-2-one
CID 171994631
1-methyl-4-[[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methyl]pyridin-2-one
CID 154882591
4-[[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)-1,4-diazepan-1-yl]methyl]-1-methylpyridin-2-one
CID 163350558
4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one
CID 53191759
4-[[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-1-methylpyridin-2-one
CID 75461791
4-[[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]-1-methylpyridin-2-one
CID 126912689
4-[1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138384991
2-(2,2-difluoroethyl)-5-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]pyridazin-3-one
CID 172881002
4-[[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1-methylpyridin-2-one
CID 126910675

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1-methylpyridin-2-one?
The IUPAC name of 4-[[4-[2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1-methylpyridin-2-one (CID 154882632) is 4-[[4-[2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[[4-[2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[[4-[2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1-methylpyridin-2-one is Cn1ccc(CN2CCN(c3cc(C(F)(F)F)nc(C4CC4)n3)CC2)cc1=O.
What is the InChIKey of 4-[[4-[2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1-methylpyridin-2-one?
The InChIKey is WTFLKVNRBUMBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N5O/c1-25-5-4-13(10-17(25)28)12-26-6-8-27(9-7-26)16-11-15(19(20,21)22)23-18(24-16)14-2-3-14/h4-5,10-11,14H,2-3,6-9,12H2,1H3.
What are the key properties of 4-[[4-[2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1-methylpyridin-2-one?
4-[[4-[2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1-methylpyridin-2-one has a molecular weight of 393.41 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1-methylpyridin-2-one is sourced from PubChem (CID 154882632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).