(1S)-1-[6-ethyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-3-[2-(hydroxymethyl)phenyl]propan-1-ol

C26H29FN2O2 — CID 173382158

IUPAC(1S)-1-[6-ethyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-3-[2-(hydroxymethyl)phenyl]propan-1-ol
SMILESCCC1=Cc2c(cnn2-c2ccc(F)cc2)CC1(C)[C@@H](O)CCc1ccccc1CO
InChIInChI=1S/C26H29FN2O2/c1-3-21-14-24-20(16-28-29(24)23-11-9-22(27)10-12-23)15-26(21,2)25(31)13-8-18-6-4-5-7-19(18)17-30/h4-7,9-12,14,16,25,30-31H,3,8,13,15,17H2,1-2H3/t25-,26?/m0/s1
InChIKeyLGKLDONKWYPJJH-PMCHYTPCSA-N
MW420.53 g/mol
LogP4.85
Rot. Bonds7

About (1S)-1-[6-ethyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-3-[2-(hydroxymethyl)phenyl]propan-1-ol

(1S)-1-[6-ethyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-3-[2-(hydroxymethyl)phenyl]propan-1-ol (PubChem CID 173382158) has the molecular formula C26H29FN2O2 and a molecular weight of 420.53 g/mol. Its IUPAC name is (1S)-1-[6-ethyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-3-[2-(hydroxymethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[6-ethyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-3-[2-(hydroxymethyl)phenyl]propan-1-ol
PubChem CID173382158
Molecular FormulaC26H29FN2O2
Molecular Weight420.53 g/mol
Exact Mass420.22
IUPAC Name(1S)-1-[6-ethyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-3-[2-(hydroxymethyl)phenyl]propan-1-ol
SMILESCCC1=Cc2c(cnn2-c2ccc(F)cc2)CC1(C)[C@@H](O)CCc1ccccc1CO
InChIInChI=1S/C26H29FN2O2/c1-3-21-14-24-20(16-28-29(24)23-11-9-22(27)10-12-23)15-26(21,2)25(31)13-8-18-6-4-5-7-19(18)17-30/h4-7,9-12,14,16,25,30-31H,3,8,13,15,17H2,1-2H3/t25-,26?/m0/s1
InChIKeyLGKLDONKWYPJJH-PMCHYTPCSA-N
XLogP4.85
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1S)-1-[6-ethyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-3-[2-(hydroxymethyl)phenyl]propan-1-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

2-[(3S)-3-[6-ethyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-3-hydroxypropyl]benzoic acid
CID 173382163
1-[2-[(3S)-3-[6-ethyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-3-hydroxypropyl]phenyl]azetidin-2-one
CID 173382173
(1S)-1-[6-ethyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]prop-2-yn-1-ol
CID 173382149
(1S)-1-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylethanol
CID 15605657
(4aS,5R)-5-[2-(2-ethylphenyl)ethyl]-1-(4-fluorophenyl)-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-ol
CID 123659258
2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(2-methoxyphenyl)ethanol
CID 66919428
1-(4-fluorophenyl)-2-[(5S)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]ethanol
CID 66919502
1-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylethanone
CID 66919599
(5R)-1-(4-fluorophenyl)-5-(2-methoxy-2-naphthalen-1-ylethyl)-5,6-dimethyl-4H-indazole
CID 15604975
[2-amino-1-[2-[2-[1-(4-fluorophenyl)-4a-hydroxy-5-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]ethyl]phenyl]-2-oxoethyl]oxidanium
CID 143661713
(4aS,5R)-1-(4-fluorophenyl)-5-[2-(2-isocyanophenyl)ethyl]-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-ol
CID 59612819
(5R)-1-(4-fluorophenyl)-5-[2-(2-iodophenyl)ethyl]-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-ol
CID 71102388

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[6-ethyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-3-[2-(hydroxymethyl)phenyl]propan-1-ol?
The IUPAC name of (1S)-1-[6-ethyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-3-[2-(hydroxymethyl)phenyl]propan-1-ol (CID 173382158) is (1S)-1-[6-ethyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-3-[2-(hydroxymethyl)phenyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[6-ethyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-3-[2-(hydroxymethyl)phenyl]propan-1-ol?
The canonical SMILES for (1S)-1-[6-ethyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-3-[2-(hydroxymethyl)phenyl]propan-1-ol is CCC1=Cc2c(cnn2-c2ccc(F)cc2)CC1(C)[C@@H](O)CCc1ccccc1CO.
What is the InChIKey of (1S)-1-[6-ethyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-3-[2-(hydroxymethyl)phenyl]propan-1-ol?
The InChIKey is LGKLDONKWYPJJH-PMCHYTPCSA-N. The full InChI is InChI=1S/C26H29FN2O2/c1-3-21-14-24-20(16-28-29(24)23-11-9-22(27)10-12-23)15-26(21,2)25(31)13-8-18-6-4-5-7-19(18)17-30/h4-7,9-12,14,16,25,30-31H,3,8,13,15,17H2,1-2H3/t25-,26?/m0/s1.
What are the key properties of (1S)-1-[6-ethyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-3-[2-(hydroxymethyl)phenyl]propan-1-ol?
(1S)-1-[6-ethyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-3-[2-(hydroxymethyl)phenyl]propan-1-ol has a molecular weight of 420.53 g/mol, XLogP of 4.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[6-ethyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-3-[2-(hydroxymethyl)phenyl]propan-1-ol is sourced from PubChem (CID 173382158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).