2-[[4-(4-fluorophenoxy)phenyl]methyl]-7-methyl-5-pyridin-2-ylisoindol-1-ol

C27H21FN2O2 — CID 90700030

IUPAC2-[[4-(4-fluorophenoxy)phenyl]methyl]-7-methyl-5-pyridin-2-ylisoindol-1-ol
SMILESCc1cc(-c2ccccn2)cc2cn(Cc3ccc(Oc4ccc(F)cc4)cc3)c(O)c12
InChIInChI=1S/C27H21FN2O2/c1-18-14-20(25-4-2-3-13-29-25)15-21-17-30(27(31)26(18)21)16-19-5-9-23(10-6-19)32-24-11-7-22(28)8-12-24/h2-15,17,31H,16H2,1H3
InChIKeyMUWJCJUTWZZKSC-UHFFFAOYSA-N
MW424.48 g/mol
LogP6.70
Rot. Bonds5

About 2-[[4-(4-fluorophenoxy)phenyl]methyl]-7-methyl-5-pyridin-2-ylisoindol-1-ol

2-[[4-(4-fluorophenoxy)phenyl]methyl]-7-methyl-5-pyridin-2-ylisoindol-1-ol (PubChem CID 90700030) has the molecular formula C27H21FN2O2 and a molecular weight of 424.48 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenoxy)phenyl]methyl]-7-methyl-5-pyridin-2-ylisoindol-1-ol.

Molecular Properties

Compound Name2-[[4-(4-fluorophenoxy)phenyl]methyl]-7-methyl-5-pyridin-2-ylisoindol-1-ol
PubChem CID90700030
Molecular FormulaC27H21FN2O2
Molecular Weight424.48 g/mol
Exact Mass424.16
IUPAC Name2-[[4-(4-fluorophenoxy)phenyl]methyl]-7-methyl-5-pyridin-2-ylisoindol-1-ol
SMILESCc1cc(-c2ccccn2)cc2cn(Cc3ccc(Oc4ccc(F)cc4)cc3)c(O)c12
InChIInChI=1S/C27H21FN2O2/c1-18-14-20(25-4-2-3-13-29-25)15-21-17-30(27(31)26(18)21)16-19-5-9-23(10-6-19)32-24-11-7-22(28)8-12-24/h2-15,17,31H,16H2,1H3
InChIKeyMUWJCJUTWZZKSC-UHFFFAOYSA-N
XLogP6.70
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.48
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[3-(4-fluorophenyl)indol-1-yl]butyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 54753271
1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[2H-1-benzofuran-3,4'-piperidine]
CID 10434120
5-Phenylmethoxy-1-[(4-propan-2-ylphenyl)methyl]-3-pyridin-4-ylindole;hydrochloride
CID 44531035
4-[2-[3-(2-Aminoethyl)-1-[[4-(4-methoxyphenyl)phenyl]methyl]indol-5-yl]oxyethyl]phenol;hydrochloride
CID 46845703
2-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 72722778
N-ethyl-4-[1-(4-fluorophenyl)indol-3-yl]-N-[(4-methoxyphenyl)methyl]butan-1-amine
CID 118720779
4-[3-Methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-2-yl]phenol
CID 9803300
4-[5-Fluoro-3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-2-yl]phenol
CID 9804201
3-Methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]indol-5-ol
CID 9936066
2-(4-Fluorophenyl)-3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol
CID 10161576
3-Methyl-2-(4-methylphenyl)-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol
CID 10204510
2-(4-Hydroxy-phenyl)-3-methyl-1-{4-[3-(piperidin-1-yl)-propoxy]-benzyl}-1H-indol-5-ol
CID 10205460

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorophenoxy)phenyl]methyl]-7-methyl-5-pyridin-2-ylisoindol-1-ol?
The IUPAC name of 2-[[4-(4-fluorophenoxy)phenyl]methyl]-7-methyl-5-pyridin-2-ylisoindol-1-ol (CID 90700030) is 2-[[4-(4-fluorophenoxy)phenyl]methyl]-7-methyl-5-pyridin-2-ylisoindol-1-ol.
What is the SMILES notation for 2-[[4-(4-fluorophenoxy)phenyl]methyl]-7-methyl-5-pyridin-2-ylisoindol-1-ol?
The canonical SMILES for 2-[[4-(4-fluorophenoxy)phenyl]methyl]-7-methyl-5-pyridin-2-ylisoindol-1-ol is Cc1cc(-c2ccccn2)cc2cn(Cc3ccc(Oc4ccc(F)cc4)cc3)c(O)c12.
What is the InChIKey of 2-[[4-(4-fluorophenoxy)phenyl]methyl]-7-methyl-5-pyridin-2-ylisoindol-1-ol?
The InChIKey is MUWJCJUTWZZKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN2O2/c1-18-14-20(25-4-2-3-13-29-25)15-21-17-30(27(31)26(18)21)16-19-5-9-23(10-6-19)32-24-11-7-22(28)8-12-24/h2-15,17,31H,16H2,1H3.
What are the key properties of 2-[[4-(4-fluorophenoxy)phenyl]methyl]-7-methyl-5-pyridin-2-ylisoindol-1-ol?
2-[[4-(4-fluorophenoxy)phenyl]methyl]-7-methyl-5-pyridin-2-ylisoindol-1-ol has a molecular weight of 424.48 g/mol, XLogP of 6.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluorophenoxy)phenyl]methyl]-7-methyl-5-pyridin-2-ylisoindol-1-ol is sourced from PubChem (CID 90700030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).