6-[3-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-fluorophenyl]-1-benzothiophen-5-ol

C24H22FNOS — CID 168829846

IUPAC6-[3-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-fluorophenyl]-1-benzothiophen-5-ol
SMILESCC(C)(C)Cc1ccnc(-c2cccc(-c3cc4sccc4cc3O)c2F)c1
InChIInChI=1S/C24H22FNOS/c1-24(2,3)14-15-7-9-26-20(11-15)18-6-4-5-17(23(18)25)19-13-22-16(8-10-28-22)12-21(19)27/h4-13,27H,14H2,1-3H3
InChIKeyPWDJBEAPELJODH-UHFFFAOYSA-N
MW391.51 g/mol
LogP7.06
Rot. Bonds3

About 6-[3-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-fluorophenyl]-1-benzothiophen-5-ol

6-[3-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-fluorophenyl]-1-benzothiophen-5-ol (PubChem CID 168829846) has the molecular formula C24H22FNOS and a molecular weight of 391.51 g/mol. Its IUPAC name is 6-[3-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-fluorophenyl]-1-benzothiophen-5-ol.

Molecular Properties

Compound Name6-[3-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-fluorophenyl]-1-benzothiophen-5-ol
PubChem CID168829846
Molecular FormulaC24H22FNOS
Molecular Weight391.51 g/mol
Exact Mass391.14
IUPAC Name6-[3-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-fluorophenyl]-1-benzothiophen-5-ol
SMILESCC(C)(C)Cc1ccnc(-c2cccc(-c3cc4sccc4cc3O)c2F)c1
InChIInChI=1S/C24H22FNOS/c1-24(2,3)14-15-7-9-26-20(11-15)18-6-4-5-17(23(18)25)19-13-22-16(8-10-28-22)12-21(19)27/h4-13,27H,14H2,1-3H3
InChIKeyPWDJBEAPELJODH-UHFFFAOYSA-N
XLogP7.06
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.51
LogP ≤ 57.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridin-6-ol
CID 137636922
3-(2-Thiophen-2-yl-4-pyridinyl)phenol
CID 46887578
4-Fluoro-2-[5,5,5-trifluoro-4-hydroxy-2-methyl-4-(thieno[3,2-c]pyridin-2-ylmethyl)pentan-2-yl]phenol
CID 11546094
(2R)-2-(2-(1-benzothiophen-7-yl)-4-pyridinyl)-1,1,1-trifluoro-2-propanol
CID 70818885
(2S)-2-[2-(1-benzothiophen-7-yl)pyridin-4-yl]-1,1,1-trifluoropropan-2-ol
CID 70819124
2-(2-(Benzo[b]thiophen-7-yl)pyridin-4-yl)-1,1,1-trifluoropropan-2-ol
CID 70819138
9-[4-[2-(Dimethylamino)ethyl]-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol
CID 141424090
9-[4-(Diethylaminomethyl)-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol
CID 141424193
9-[4-(1-Amino-2-methylpropan-2-yl)-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol
CID 141424247
9-[4-(1-Amino-2-methylpropan-2-yl)-3-fluorophenyl]-6-methylthieno[2,3-c]quinolin-8-ol
CID 141424283
9-[4-[1-(Dimethylamino)ethyl]-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol
CID 141424285
9-[4-[1-(Diethylamino)ethyl]-3-fluorophenyl]thieno[2,3-c]quinolin-8-ol
CID 141424299

Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-fluorophenyl]-1-benzothiophen-5-ol?
The IUPAC name of 6-[3-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-fluorophenyl]-1-benzothiophen-5-ol (CID 168829846) is 6-[3-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-fluorophenyl]-1-benzothiophen-5-ol.
What is the SMILES notation for 6-[3-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-fluorophenyl]-1-benzothiophen-5-ol?
The canonical SMILES for 6-[3-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-fluorophenyl]-1-benzothiophen-5-ol is CC(C)(C)Cc1ccnc(-c2cccc(-c3cc4sccc4cc3O)c2F)c1.
What is the InChIKey of 6-[3-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-fluorophenyl]-1-benzothiophen-5-ol?
The InChIKey is PWDJBEAPELJODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FNOS/c1-24(2,3)14-15-7-9-26-20(11-15)18-6-4-5-17(23(18)25)19-13-22-16(8-10-28-22)12-21(19)27/h4-13,27H,14H2,1-3H3.
What are the key properties of 6-[3-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-fluorophenyl]-1-benzothiophen-5-ol?
6-[3-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-fluorophenyl]-1-benzothiophen-5-ol has a molecular weight of 391.51 g/mol, XLogP of 7.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-fluorophenyl]-1-benzothiophen-5-ol is sourced from PubChem (CID 168829846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).