1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-2,3-dihydroindol-5-yl]propan-2-ol

C26H21F9N2O — CID 11512292

IUPAC1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-2,3-dihydroindol-5-yl]propan-2-ol
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)ccc1CN1c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2CC1C
InChIInChI=1S/C26H21F9N2O/c1-14-11-18-12-20(23(38,25(30,31)32)26(33,34)35)8-10-22(18)37(14)13-17-5-9-21(36-15(17)2)16-3-6-19(7-4-16)24(27,28)29/h3-10,12,14,38H,11,13H2,1-2H3
InChIKeyUDORIVMXMIDSDV-UHFFFAOYSA-N
MW548.45 g/mol
LogP7.34
Rot. Bonds4

About 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-2,3-dihydroindol-5-yl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-2,3-dihydroindol-5-yl]propan-2-ol (PubChem CID 11512292) has the molecular formula C26H21F9N2O and a molecular weight of 548.45 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-2,3-dihydroindol-5-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-2,3-dihydroindol-5-yl]propan-2-ol
PubChem CID11512292
Molecular FormulaC26H21F9N2O
Molecular Weight548.45 g/mol
Exact Mass548.15
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-2,3-dihydroindol-5-yl]propan-2-ol
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)ccc1CN1c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2CC1C
InChIInChI=1S/C26H21F9N2O/c1-14-11-18-12-20(23(38,25(30,31)32)26(33,34)35)8-10-22(18)37(14)13-17-5-9-21(36-15(17)2)16-3-6-19(7-4-16)24(27,28)29/h3-10,12,14,38H,11,13H2,1-2H3
InChIKeyUDORIVMXMIDSDV-UHFFFAOYSA-N
XLogP7.34
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.45
LogP ≤ 57.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-2,3-dihydroindol-5-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-1-(4-fluorophenyl)butan-1-ol
CID 44372860
[4-(Dimethylamino)phenyl]-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol
CID 56682754
2-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol
CID 25058302
[1-[1-(4-Propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methanol
CID 129188464
4-[8-fluoro-5-(4-fluorophenyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]-1-(4-methylphenyl)butan-1-ol;hydrochloride
CID 45262667
4-[8-fluoro-5-(4-fluorophenyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]-1-[3-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride
CID 45262668
5-[8-fluoro-5-(4-fluorophenyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]-1-(4-fluorophenyl)pentan-1-ol;hydrochloride
CID 45262706
1-(4-fluorophenyl)-4-[8-fluoro-5-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]butan-1-ol;hydrochloride
CID 45262719
1-Methyl-4-(2-methylquinolin-6-yl)piperidin-4-ol
CID 56750238
1,1,1-Trifluoro-2,2-bis(9-methyl-3-carbazolyl)-2-hydroxyethane
CID 13722273
(Z)-1,1,1-trifluoro-4-(9-hexylcarbazol-3-yl)-4-hydroxybut-3-en-2-one
CID 101551177
[1-[2-(Diethylaminomethyl)-6-(trifluoromethyl)phenyl]pyrrol-2-yl]-diphenylmethanol
CID 122380267

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-2,3-dihydroindol-5-yl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-2,3-dihydroindol-5-yl]propan-2-ol (CID 11512292) is 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-2,3-dihydroindol-5-yl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-2,3-dihydroindol-5-yl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-2,3-dihydroindol-5-yl]propan-2-ol is Cc1nc(-c2ccc(C(F)(F)F)cc2)ccc1CN1c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2CC1C.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-2,3-dihydroindol-5-yl]propan-2-ol?
The InChIKey is UDORIVMXMIDSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F9N2O/c1-14-11-18-12-20(23(38,25(30,31)32)26(33,34)35)8-10-22(18)37(14)13-17-5-9-21(36-15(17)2)16-3-6-19(7-4-16)24(27,28)29/h3-10,12,14,38H,11,13H2,1-2H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-2,3-dihydroindol-5-yl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-2,3-dihydroindol-5-yl]propan-2-ol has a molecular weight of 548.45 g/mol, XLogP of 7.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-2,3-dihydroindol-5-yl]propan-2-ol is sourced from PubChem (CID 11512292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).