4-(dimethylamino)-1-[5-(2-fluorophenyl)-2-methoxy-3-pyridinyl]-2-naphthalen-1-yl-1-phenylbutan-2-ol

C34H33FN2O2 — CID 118672040

IUPAC4-(dimethylamino)-1-[5-(2-fluorophenyl)-2-methoxy-3-pyridinyl]-2-naphthalen-1-yl-1-phenylbutan-2-ol
SMILESCOc1ncc(-c2ccccc2F)cc1C(c1ccccc1)C(O)(CCN(C)C)c1cccc2ccccc12
InChIInChI=1S/C34H33FN2O2/c1-37(2)21-20-34(38,30-18-11-15-24-12-7-8-16-27(24)30)32(25-13-5-4-6-14-25)29-22-26(23-36-33(29)39-3)28-17-9-10-19-31(28)35/h4-19,22-23,32,38H,20-21H2,1-3H3
InChIKeySQUSNZDLWGNXOH-UHFFFAOYSA-N
MW520.65 g/mol
LogP7.02
Rot. Bonds9

About 4-(dimethylamino)-1-[5-(2-fluorophenyl)-2-methoxy-3-pyridinyl]-2-naphthalen-1-yl-1-phenylbutan-2-ol

4-(dimethylamino)-1-[5-(2-fluorophenyl)-2-methoxy-3-pyridinyl]-2-naphthalen-1-yl-1-phenylbutan-2-ol (PubChem CID 118672040) has the molecular formula C34H33FN2O2 and a molecular weight of 520.65 g/mol. Its IUPAC name is 4-(dimethylamino)-1-[5-(2-fluorophenyl)-2-methoxy-3-pyridinyl]-2-naphthalen-1-yl-1-phenylbutan-2-ol.

Molecular Properties

Compound Name4-(dimethylamino)-1-[5-(2-fluorophenyl)-2-methoxy-3-pyridinyl]-2-naphthalen-1-yl-1-phenylbutan-2-ol
PubChem CID118672040
Molecular FormulaC34H33FN2O2
Molecular Weight520.65 g/mol
Exact Mass520.25
IUPAC Name4-(dimethylamino)-1-[5-(2-fluorophenyl)-2-methoxy-3-pyridinyl]-2-naphthalen-1-yl-1-phenylbutan-2-ol
SMILESCOc1ncc(-c2ccccc2F)cc1C(c1ccccc1)C(O)(CCN(C)C)c1cccc2ccccc12
InChIInChI=1S/C34H33FN2O2/c1-37(2)21-20-34(38,30-18-11-15-24-12-7-8-16-27(24)30)32(25-13-5-4-6-14-25)29-22-26(23-36-33(29)39-3)28-17-9-10-19-31(28)35/h4-19,22-23,32,38H,20-21H2,1-3H3
InChIKeySQUSNZDLWGNXOH-UHFFFAOYSA-N
XLogP7.02
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.65
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(dimethylamino)-1-[5-(2-fluorophenyl)-2-methoxy-3-pyridinyl]-2-naphthalen-1-yl-1-phenylbutan-2-ol with MolForge

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Related Compounds

6-(3-Fluoro-4-methoxyphenyl)-1-(pyridin-4-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 25033731
Fudapirine
CID 156777270
1-[5-(6-Methoxynaphthalen-2-yl)-pyridin-3-yl]ethanol
CID 25034425
6-(3-Hydroxyphenyl)-1-(6-methoxypyridin-3-yl)naphthalen-2-ol
CID 25069763
4-(Dimethylamino)-1-[5-(4-fluorophenyl)-2-methoxy-3-pyridinyl]-2-naphthalen-1-yl-1-phenylbutan-2-ol
CID 129135253
[5-(6-Methoxynaphthalen-2-yl)pyridin-3-yl]methanol
CID 25034350
4-[5-[(1R,2S)-4-(dimethylamino)-2-hydroxy-2-naphthalen-1-yl-1-phenylbutyl]-2,6-dimethoxy-3-pyridinyl]benzonitrile
CID 162671107
4-(Dimethylamino)-1-(2-methoxy-3-quinolyl)-2-(1-naphthyl)-1-phenyl-butan-2-ol
CID 49767138
4-(Dimethylamino)-1-(2-methoxy-6-methyl-3-quinolyl)-2-(1-naphthyl)-1-phenyl-butan-2-ol
CID 49767146
4-(Dimethylamino)-1-[6-[(dimethylamino)methyl]-2-methoxyquinolin-3-yl]-2-naphthalen-1-yl-1-phenylbutan-2-ol
CID 59199467
4-(dimethylamino)-1-[6-[(E)-hydroxyiminomethyl]-2-methoxyquinolin-3-yl]-2-naphthalen-1-yl-1-phenylbutan-2-ol
CID 59199488
1-[5-(4-Chlorophenyl)-2-methoxy-3-pyridinyl]-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol
CID 118671682

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1-[5-(2-fluorophenyl)-2-methoxy-3-pyridinyl]-2-naphthalen-1-yl-1-phenylbutan-2-ol?
The IUPAC name of 4-(dimethylamino)-1-[5-(2-fluorophenyl)-2-methoxy-3-pyridinyl]-2-naphthalen-1-yl-1-phenylbutan-2-ol (CID 118672040) is 4-(dimethylamino)-1-[5-(2-fluorophenyl)-2-methoxy-3-pyridinyl]-2-naphthalen-1-yl-1-phenylbutan-2-ol.
What is the SMILES notation for 4-(dimethylamino)-1-[5-(2-fluorophenyl)-2-methoxy-3-pyridinyl]-2-naphthalen-1-yl-1-phenylbutan-2-ol?
The canonical SMILES for 4-(dimethylamino)-1-[5-(2-fluorophenyl)-2-methoxy-3-pyridinyl]-2-naphthalen-1-yl-1-phenylbutan-2-ol is COc1ncc(-c2ccccc2F)cc1C(c1ccccc1)C(O)(CCN(C)C)c1cccc2ccccc12.
What is the InChIKey of 4-(dimethylamino)-1-[5-(2-fluorophenyl)-2-methoxy-3-pyridinyl]-2-naphthalen-1-yl-1-phenylbutan-2-ol?
The InChIKey is SQUSNZDLWGNXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33FN2O2/c1-37(2)21-20-34(38,30-18-11-15-24-12-7-8-16-27(24)30)32(25-13-5-4-6-14-25)29-22-26(23-36-33(29)39-3)28-17-9-10-19-31(28)35/h4-19,22-23,32,38H,20-21H2,1-3H3.
What are the key properties of 4-(dimethylamino)-1-[5-(2-fluorophenyl)-2-methoxy-3-pyridinyl]-2-naphthalen-1-yl-1-phenylbutan-2-ol?
4-(dimethylamino)-1-[5-(2-fluorophenyl)-2-methoxy-3-pyridinyl]-2-naphthalen-1-yl-1-phenylbutan-2-ol has a molecular weight of 520.65 g/mol, XLogP of 7.02, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1-[5-(2-fluorophenyl)-2-methoxy-3-pyridinyl]-2-naphthalen-1-yl-1-phenylbutan-2-ol is sourced from PubChem (CID 118672040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).