1-[5-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-2-(2,6-dimethoxy-4-pyridinyl)-4-(dimethylamino)-1-(2-fluoro-3-methoxyphenyl)butan-2-ol

C32H35ClFN3O5 — CID 155924202

IUPAC1-[5-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-2-(2,6-dimethoxy-4-pyridinyl)-4-(dimethylamino)-1-(2-fluoro-3-methoxyphenyl)butan-2-ol
SMILESCOc1cc(C(O)(CCN(C)C)C(c2cc(-c3ccc(Cl)cc3)cnc2OC)c2cccc(OC)c2F)cc(OC)n1
InChIInChI=1S/C32H35ClFN3O5/c1-37(2)15-14-32(38,22-17-27(40-4)36-28(18-22)41-5)29(24-8-7-9-26(39-3)30(24)34)25-16-21(19-35-31(25)42-6)20-10-12-23(33)13-11-20/h7-13,16-19,29,38H,14-15H2,1-6H3
InChIKeyIOKWEJVOWZYDMU-UHFFFAOYSA-N
MW596.10 g/mol
LogP5.94
Rot. Bonds12

About 1-[5-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-2-(2,6-dimethoxy-4-pyridinyl)-4-(dimethylamino)-1-(2-fluoro-3-methoxyphenyl)butan-2-ol

1-[5-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-2-(2,6-dimethoxy-4-pyridinyl)-4-(dimethylamino)-1-(2-fluoro-3-methoxyphenyl)butan-2-ol (PubChem CID 155924202) has the molecular formula C32H35ClFN3O5 and a molecular weight of 596.10 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-2-(2,6-dimethoxy-4-pyridinyl)-4-(dimethylamino)-1-(2-fluoro-3-methoxyphenyl)butan-2-ol.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-2-(2,6-dimethoxy-4-pyridinyl)-4-(dimethylamino)-1-(2-fluoro-3-methoxyphenyl)butan-2-ol
PubChem CID155924202
Molecular FormulaC32H35ClFN3O5
Molecular Weight596.10 g/mol
Exact Mass595.22
IUPAC Name1-[5-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-2-(2,6-dimethoxy-4-pyridinyl)-4-(dimethylamino)-1-(2-fluoro-3-methoxyphenyl)butan-2-ol
SMILESCOc1cc(C(O)(CCN(C)C)C(c2cc(-c3ccc(Cl)cc3)cnc2OC)c2cccc(OC)c2F)cc(OC)n1
InChIInChI=1S/C32H35ClFN3O5/c1-37(2)15-14-32(38,22-17-27(40-4)36-28(18-22)41-5)29(24-8-7-9-26(39-3)30(24)34)25-16-21(19-35-31(25)42-6)20-10-12-23(33)13-11-20/h7-13,16-19,29,38H,14-15H2,1-6H3
InChIKeyIOKWEJVOWZYDMU-UHFFFAOYSA-N
XLogP5.94
TPSA86.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.10
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[5-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-2-(2,6-dimethoxy-4-pyridinyl)-4-(dimethylamino)-1-(2-fluoro-3-methoxyphenyl)butan-2-ol with MolForge

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Related Compounds

(4-Chloro-2-fluorophenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol
CID 56679074
Fudapirine
CID 156777270
(4-Chlorophenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol
CID 56658938
(4-Chlorophenyl)-(3-methoxyphenyl)-pyridin-3-ylmethanol
CID 56679206
(4-Chlorophenyl)-(4-methoxyphenyl)-pyridin-3-ylmethanol
CID 56682759
(4-Chlorophenyl)-(3-propan-2-yloxyphenyl)-pyridin-3-ylmethanol
CID 57521779
(4-Chlorophenyl)-(2-fluoro-4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol
CID 57522241
1-[5-(4-Chlorophenyl)-2-methoxy-3-pyridinyl]-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol
CID 118671682
(4-Chloro-2-methoxy-phenyl)-phenyl-pyridin-3-yl-methanol
CID 44356994
1-[5-(3-Chloro-4-fluorophenyl)-2-methoxy-3-pyridinyl]-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol
CID 162670636
1-[5-[4-Chloro-3-(trifluoromethyl)phenyl]-2-methoxy-3-pyridinyl]-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol
CID 162674042
(1S,2S)-2-(2,6-dimethoxy-4-pyridyl)-4-(dimethylamino)-1-(2-fluoro-3-methoxy-phenyl)-1-[5-(4-fluorophenyl)-2-methoxy-3-pyridyl]butan-2-ol
CID 172053904

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-2-(2,6-dimethoxy-4-pyridinyl)-4-(dimethylamino)-1-(2-fluoro-3-methoxyphenyl)butan-2-ol?
The IUPAC name of 1-[5-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-2-(2,6-dimethoxy-4-pyridinyl)-4-(dimethylamino)-1-(2-fluoro-3-methoxyphenyl)butan-2-ol (CID 155924202) is 1-[5-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-2-(2,6-dimethoxy-4-pyridinyl)-4-(dimethylamino)-1-(2-fluoro-3-methoxyphenyl)butan-2-ol.
What is the SMILES notation for 1-[5-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-2-(2,6-dimethoxy-4-pyridinyl)-4-(dimethylamino)-1-(2-fluoro-3-methoxyphenyl)butan-2-ol?
The canonical SMILES for 1-[5-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-2-(2,6-dimethoxy-4-pyridinyl)-4-(dimethylamino)-1-(2-fluoro-3-methoxyphenyl)butan-2-ol is COc1cc(C(O)(CCN(C)C)C(c2cc(-c3ccc(Cl)cc3)cnc2OC)c2cccc(OC)c2F)cc(OC)n1.
What is the InChIKey of 1-[5-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-2-(2,6-dimethoxy-4-pyridinyl)-4-(dimethylamino)-1-(2-fluoro-3-methoxyphenyl)butan-2-ol?
The InChIKey is IOKWEJVOWZYDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35ClFN3O5/c1-37(2)15-14-32(38,22-17-27(40-4)36-28(18-22)41-5)29(24-8-7-9-26(39-3)30(24)34)25-16-21(19-35-31(25)42-6)20-10-12-23(33)13-11-20/h7-13,16-19,29,38H,14-15H2,1-6H3.
What are the key properties of 1-[5-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-2-(2,6-dimethoxy-4-pyridinyl)-4-(dimethylamino)-1-(2-fluoro-3-methoxyphenyl)butan-2-ol?
1-[5-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-2-(2,6-dimethoxy-4-pyridinyl)-4-(dimethylamino)-1-(2-fluoro-3-methoxyphenyl)butan-2-ol has a molecular weight of 596.10 g/mol, XLogP of 5.94, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-2-(2,6-dimethoxy-4-pyridinyl)-4-(dimethylamino)-1-(2-fluoro-3-methoxyphenyl)butan-2-ol is sourced from PubChem (CID 155924202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).