7-hydroxy-7-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-4,6-dihydro-3H-isoindol-5-one;7-hydroxy-7-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-4,6-dihydro-3H-isoindol-5-one

C40H47F3N6O4 — CID 157159946

IUPAC7-hydroxy-7-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-4,6-dihydro-3H-isoindol-5-one;7-hydroxy-7-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-4,6-dihydro-3H-isoindol-5-one
SMILESCC1(O)CC(=O)CC2=C1C(C1CCN(c3ccc(C(F)(F)F)cn3)CC1)=NC2.Cc1ccc(N2CCC(C3=NCC4=C3C(C)(O)CC(=O)C4)CC2)nc1
InChIInChI=1S/C20H22F3N3O2.C20H25N3O2/c1-19(28)9-15(27)8-13-10-25-18(17(13)19)12-4-6-26(7-5-12)16-3-2-14(11-24-16)20(21,22)23;1-13-3-4-17(21-11-13)23-7-5-14(6-8-23)19-18-15(12-22-19)9-16(24)10-20(18,2)25/h2-3,11-12,28H,4-10H2,1H3;3-4,11,14,25H,5-10,12H2,1-2H3
InChIKeyAMGGHXJKNIDRMC-UHFFFAOYSA-N
MW732.85 g/mol
LogP5.65
Rot. Bonds4

About 7-hydroxy-7-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-4,6-dihydro-3H-isoindol-5-one;7-hydroxy-7-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-4,6-dihydro-3H-isoindol-5-one

7-hydroxy-7-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-4,6-dihydro-3H-isoindol-5-one;7-hydroxy-7-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-4,6-dihydro-3H-isoindol-5-one (PubChem CID 157159946) has the molecular formula C40H47F3N6O4 and a molecular weight of 732.85 g/mol. Its IUPAC name is 7-hydroxy-7-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-4,6-dihydro-3H-isoindol-5-one;7-hydroxy-7-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-4,6-dihydro-3H-isoindol-5-one.

Molecular Properties

Compound Name7-hydroxy-7-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-4,6-dihydro-3H-isoindol-5-one;7-hydroxy-7-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-4,6-dihydro-3H-isoindol-5-one
PubChem CID157159946
Molecular FormulaC40H47F3N6O4
Molecular Weight732.85 g/mol
Exact Mass732.36
IUPAC Name7-hydroxy-7-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-4,6-dihydro-3H-isoindol-5-one;7-hydroxy-7-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-4,6-dihydro-3H-isoindol-5-one
SMILESCC1(O)CC(=O)CC2=C1C(C1CCN(c3ccc(C(F)(F)F)cn3)CC1)=NC2.Cc1ccc(N2CCC(C3=NCC4=C3C(C)(O)CC(=O)C4)CC2)nc1
InChIInChI=1S/C20H22F3N3O2.C20H25N3O2/c1-19(28)9-15(27)8-13-10-25-18(17(13)19)12-4-6-26(7-5-12)16-3-2-14(11-24-16)20(21,22)23;1-13-3-4-17(21-11-13)23-7-5-14(6-8-23)19-18-15(12-22-19)9-16(24)10-20(18,2)25/h2-3,11-12,28H,4-10H2,1H3;3-4,11,14,25H,5-10,12H2,1-2H3
InChIKeyAMGGHXJKNIDRMC-UHFFFAOYSA-N
XLogP5.65
TPSA131.58 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.85
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 7-hydroxy-7-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-4,6-dihydro-3H-isoindol-5-one;7-hydroxy-7-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-4,6-dihydro-3H-isoindol-5-one with MolForge

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Launch Full Analysis

Related Compounds

1-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-7-hydroxy-7-methyl-4,6-dihydro-3H-isoindol-5-one
CID 158317965
4-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142844
[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]azanium
CID 28873857
4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 46475049
2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide
CID 46475209
tert-butyl-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]carbamic acid
CID 67243572
2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
CID 59059706
(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
CID 94895243
(2,2-dichloro-1-methylcyclopropyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 51163234
(2,6-dimethylmorpholin-4-yl)-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone
CID 17447797
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
CID 9119461
5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 55708564

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-7-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-4,6-dihydro-3H-isoindol-5-one;7-hydroxy-7-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-4,6-dihydro-3H-isoindol-5-one?
The IUPAC name of 7-hydroxy-7-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-4,6-dihydro-3H-isoindol-5-one;7-hydroxy-7-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-4,6-dihydro-3H-isoindol-5-one (CID 157159946) is 7-hydroxy-7-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-4,6-dihydro-3H-isoindol-5-one;7-hydroxy-7-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-4,6-dihydro-3H-isoindol-5-one.
What is the SMILES notation for 7-hydroxy-7-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-4,6-dihydro-3H-isoindol-5-one;7-hydroxy-7-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-4,6-dihydro-3H-isoindol-5-one?
The canonical SMILES for 7-hydroxy-7-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-4,6-dihydro-3H-isoindol-5-one;7-hydroxy-7-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-4,6-dihydro-3H-isoindol-5-one is CC1(O)CC(=O)CC2=C1C(C1CCN(c3ccc(C(F)(F)F)cn3)CC1)=NC2.Cc1ccc(N2CCC(C3=NCC4=C3C(C)(O)CC(=O)C4)CC2)nc1.
What is the InChIKey of 7-hydroxy-7-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-4,6-dihydro-3H-isoindol-5-one;7-hydroxy-7-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-4,6-dihydro-3H-isoindol-5-one?
The InChIKey is AMGGHXJKNIDRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2.C20H25N3O2/c1-19(28)9-15(27)8-13-10-25-18(17(13)19)12-4-6-26(7-5-12)16-3-2-14(11-24-16)20(21,22)23;1-13-3-4-17(21-11-13)23-7-5-14(6-8-23)19-18-15(12-22-19)9-16(24)10-20(18,2)25/h2-3,11-12,28H,4-10H2,1H3;3-4,11,14,25H,5-10,12H2,1-2H3.
What are the key properties of 7-hydroxy-7-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-4,6-dihydro-3H-isoindol-5-one;7-hydroxy-7-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-4,6-dihydro-3H-isoindol-5-one?
7-hydroxy-7-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-4,6-dihydro-3H-isoindol-5-one;7-hydroxy-7-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-4,6-dihydro-3H-isoindol-5-one has a molecular weight of 732.85 g/mol, XLogP of 5.65, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-7-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-4,6-dihydro-3H-isoindol-5-one;7-hydroxy-7-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-4,6-dihydro-3H-isoindol-5-one is sourced from PubChem (CID 157159946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).