7-methyl-5-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol

C29H30F3N3O2 — CID 90882367

IUPAC7-methyl-5-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
SMILESCc1cc(CC2CCN(Cc3ccccn3)CC2)cc2cn(Cc3ccc(OC(F)(F)F)cc3)c(O)c12
InChIInChI=1S/C29H30F3N3O2/c1-20-14-23(15-21-9-12-34(13-10-21)19-25-4-2-3-11-33-25)16-24-18-35(28(36)27(20)24)17-22-5-7-26(8-6-22)37-29(30,31)32/h2-8,11,14,16,18,21,36H,9-10,12-13,15,17,19H2,1H3
InChIKeyFHBQMTZRYPIWKK-UHFFFAOYSA-N
MW509.57 g/mol
LogP6.45
Rot. Bonds7

About 7-methyl-5-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol

7-methyl-5-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol (PubChem CID 90882367) has the molecular formula C29H30F3N3O2 and a molecular weight of 509.57 g/mol. Its IUPAC name is 7-methyl-5-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol.

Molecular Properties

Compound Name7-methyl-5-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
PubChem CID90882367
Molecular FormulaC29H30F3N3O2
Molecular Weight509.57 g/mol
Exact Mass509.23
IUPAC Name7-methyl-5-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
SMILESCc1cc(CC2CCN(Cc3ccccn3)CC2)cc2cn(Cc3ccc(OC(F)(F)F)cc3)c(O)c12
InChIInChI=1S/C29H30F3N3O2/c1-20-14-23(15-21-9-12-34(13-10-21)19-25-4-2-3-11-33-25)16-24-18-35(28(36)27(20)24)17-22-5-7-26(8-6-22)37-29(30,31)32/h2-8,11,14,16,18,21,36H,9-10,12-13,15,17,19H2,1H3
InChIKeyFHBQMTZRYPIWKK-UHFFFAOYSA-N
XLogP6.45
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.57
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-methyl-5-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol with MolForge

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Related Compounds

[3-(6-Methoxypyridin-3-yl)-5-(trifluoromethoxy)-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-yl]methanol
CID 118967132
2-(4-Methoxyphenyl)-3-(6-methoxy-3-pyridinyl)-1-methylindole
CID 25058205
(1-(3-methoxybenzyl)-3-(6-methoxypyridin-3-yl)-5-(trifluoromethyl)-1H-indol-2-yl)methanol
CID 118953471
6-(5-methoxy-3-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)naphthalen-2-ol
CID 136609931
[3-(6-Methoxy-3-pyridinyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-yl]methanol
CID 118714103
[3-(6-Methoxy-3-pyridinyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]indol-2-yl]methanol
CID 118714106
7-Methoxy-1-[(4-methylpiperidin-1-yl)-pyridin-2-ylmethyl]naphthalen-2-ol
CID 127029149
5,9-Dimethyl-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]indol-6-yl]phenanthridin-5-ium chloride
CID 164616863
5,10-Dimethyl-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]indol-6-yl]phenanthridin-5-ium chloride
CID 164627067
3-(3-Fluorophenyl)-1-[(4-methoxyphenyl)methyl]-7-phenylpyrrolo[2,3-c]pyridine
CID 177650661
(12R)-3-(3,5-difluorophenyl)-12-(4-methoxyphenyl)-11-methyl-5,12-dihydroindolo[1,2-b][2,6]naphthyridine
CID 135026278
1-Benzyl-5-(3,5-difluorophenyl)-2-(4-methoxyphenyl)pyrrolo[2,3-c]pyridine
CID 135061459

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
The IUPAC name of 7-methyl-5-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol (CID 90882367) is 7-methyl-5-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol.
What is the SMILES notation for 7-methyl-5-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
The canonical SMILES for 7-methyl-5-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol is Cc1cc(CC2CCN(Cc3ccccn3)CC2)cc2cn(Cc3ccc(OC(F)(F)F)cc3)c(O)c12.
What is the InChIKey of 7-methyl-5-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
The InChIKey is FHBQMTZRYPIWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F3N3O2/c1-20-14-23(15-21-9-12-34(13-10-21)19-25-4-2-3-11-33-25)16-24-18-35(28(36)27(20)24)17-22-5-7-26(8-6-22)37-29(30,31)32/h2-8,11,14,16,18,21,36H,9-10,12-13,15,17,19H2,1H3.
What are the key properties of 7-methyl-5-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
7-methyl-5-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol has a molecular weight of 509.57 g/mol, XLogP of 6.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol is sourced from PubChem (CID 90882367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).