4-fluoro-1-(2-methoxy-4-pyridinyl)-1-[3-(4-methoxy-2-pyridinyl)phenyl]isoindole

C26H20FN3O2 — CID 141269210

IUPAC4-fluoro-1-(2-methoxy-4-pyridinyl)-1-[3-(4-methoxy-2-pyridinyl)phenyl]isoindole
SMILESCOc1ccnc(-c2cccc(C3(c4ccnc(OC)c4)N=Cc4c(F)cccc43)c2)c1
InChIInChI=1S/C26H20FN3O2/c1-31-20-10-12-28-24(15-20)17-5-3-6-18(13-17)26(19-9-11-29-25(14-19)32-2)22-7-4-8-23(27)21(22)16-30-26/h3-16H,1-2H3
InChIKeyLYWOPGULJOFDMA-UHFFFAOYSA-N
MW425.46 g/mol
LogP5.02
Rot. Bonds5

About 4-fluoro-1-(2-methoxy-4-pyridinyl)-1-[3-(4-methoxy-2-pyridinyl)phenyl]isoindole

4-fluoro-1-(2-methoxy-4-pyridinyl)-1-[3-(4-methoxy-2-pyridinyl)phenyl]isoindole (PubChem CID 141269210) has the molecular formula C26H20FN3O2 and a molecular weight of 425.46 g/mol. Its IUPAC name is 4-fluoro-1-(2-methoxy-4-pyridinyl)-1-[3-(4-methoxy-2-pyridinyl)phenyl]isoindole.

Molecular Properties

Compound Name4-fluoro-1-(2-methoxy-4-pyridinyl)-1-[3-(4-methoxy-2-pyridinyl)phenyl]isoindole
PubChem CID141269210
Molecular FormulaC26H20FN3O2
Molecular Weight425.46 g/mol
Exact Mass425.15
IUPAC Name4-fluoro-1-(2-methoxy-4-pyridinyl)-1-[3-(4-methoxy-2-pyridinyl)phenyl]isoindole
SMILESCOc1ccnc(-c2cccc(C3(c4ccnc(OC)c4)N=Cc4c(F)cccc43)c2)c1
InChIInChI=1S/C26H20FN3O2/c1-31-20-10-12-28-24(15-20)17-5-3-6-18(13-17)26(19-9-11-29-25(14-19)32-2)22-7-4-8-23(27)21(22)16-30-26/h3-16H,1-2H3
InChIKeyLYWOPGULJOFDMA-UHFFFAOYSA-N
XLogP5.02
TPSA56.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.46
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-1-(2-methoxy-4-pyridinyl)-1-[3-(4-methoxy-2-pyridinyl)phenyl]isoindole with MolForge

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Related Compounds

2-Methyl-3-({[3'-(Piperidin-4-Yl)[1,1'-Biphenyl]-4-Yl]oxy}methyl)pyridine
CID 129900135
4-[6-(4-methoxyphenyl)-1H-inden-3-yl]pyridine
CID 25033656
(4r)-4-[3-(2-Fluoropyridin-3-Yl)phenyl]-4-(4-Methoxyphenyl)-4,5-Dihydro-1,3-Oxazol-2-Amine
CID 44193304
2-(2-Fluorophenyl)-5-[(5-methoxy-3-pyridinyl)methyl]pyridine
CID 145981780
Methyl 3-phenyl-7-isoquinolinyl ether
CID 1235204
3-(4-Methoxyphenyl)isoquinoline
CID 2752930
4-(4-Methoxyphenyl)-2,2':6',2''-terpyridine
CID 4105676
3-(6-Methoxynaphth-2-ylmethylene)anabaseine
CID 15982063
6-Fluoro-3-(4-methoxyphenyl)isoquinoline
CID 25058375
7-Methoxy-3-(4-methoxyphenyl)isoquinoline
CID 44142276
1-Phenyl-2-[4-(3-piperidin-1-yl-propoxy)-phenyl]-indolizine
CID 44215411
1-pyridin-2-yl-1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 57404021

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(2-methoxy-4-pyridinyl)-1-[3-(4-methoxy-2-pyridinyl)phenyl]isoindole?
The IUPAC name of 4-fluoro-1-(2-methoxy-4-pyridinyl)-1-[3-(4-methoxy-2-pyridinyl)phenyl]isoindole (CID 141269210) is 4-fluoro-1-(2-methoxy-4-pyridinyl)-1-[3-(4-methoxy-2-pyridinyl)phenyl]isoindole.
What is the SMILES notation for 4-fluoro-1-(2-methoxy-4-pyridinyl)-1-[3-(4-methoxy-2-pyridinyl)phenyl]isoindole?
The canonical SMILES for 4-fluoro-1-(2-methoxy-4-pyridinyl)-1-[3-(4-methoxy-2-pyridinyl)phenyl]isoindole is COc1ccnc(-c2cccc(C3(c4ccnc(OC)c4)N=Cc4c(F)cccc43)c2)c1.
What is the InChIKey of 4-fluoro-1-(2-methoxy-4-pyridinyl)-1-[3-(4-methoxy-2-pyridinyl)phenyl]isoindole?
The InChIKey is LYWOPGULJOFDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN3O2/c1-31-20-10-12-28-24(15-20)17-5-3-6-18(13-17)26(19-9-11-29-25(14-19)32-2)22-7-4-8-23(27)21(22)16-30-26/h3-16H,1-2H3.
What are the key properties of 4-fluoro-1-(2-methoxy-4-pyridinyl)-1-[3-(4-methoxy-2-pyridinyl)phenyl]isoindole?
4-fluoro-1-(2-methoxy-4-pyridinyl)-1-[3-(4-methoxy-2-pyridinyl)phenyl]isoindole has a molecular weight of 425.46 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(2-methoxy-4-pyridinyl)-1-[3-(4-methoxy-2-pyridinyl)phenyl]isoindole is sourced from PubChem (CID 141269210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).