2-[[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-(2-hydroxyethyl)amino]ethanol

C29H34FN3O2 — CID 68791820

IUPAC2-[[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-(2-hydroxyethyl)amino]ethanol
SMILESC[C@H]1C2=CNN(c3ccc(F)cc3)C2=CC2=C1[C@@H](CC(c1ccccc1)N(CCO)CCO)CC2
InChIInChI=1S/C29H34FN3O2/c1-20-26-19-31-33(25-11-9-24(30)10-12-25)28(26)18-23-8-7-22(29(20)23)17-27(21-5-3-2-4-6-21)32(13-15-34)14-16-35/h2-6,9-12,18-20,22,27,31,34-35H,7-8,13-17H2,1H3/t20-,22+,27?/m0/s1
InChIKeyWAGHUGSJSCVFJY-VYEWMXHSSA-N
MW475.61 g/mol
LogP4.69
Rot. Bonds9

About 2-[[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-(2-hydroxyethyl)amino]ethanol

2-[[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-(2-hydroxyethyl)amino]ethanol (PubChem CID 68791820) has the molecular formula C29H34FN3O2 and a molecular weight of 475.61 g/mol. Its IUPAC name is 2-[[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-(2-hydroxyethyl)amino]ethanol
PubChem CID68791820
Molecular FormulaC29H34FN3O2
Molecular Weight475.61 g/mol
Exact Mass475.26
IUPAC Name2-[[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-(2-hydroxyethyl)amino]ethanol
SMILESC[C@H]1C2=CNN(c3ccc(F)cc3)C2=CC2=C1[C@@H](CC(c1ccccc1)N(CCO)CCO)CC2
InChIInChI=1S/C29H34FN3O2/c1-20-26-19-31-33(25-11-9-24(30)10-12-25)28(26)18-23-8-7-22(29(20)23)17-27(21-5-3-2-4-6-21)32(13-15-34)14-16-35/h2-6,9-12,18-20,22,27,31,34-35H,7-8,13-17H2,1H3/t20-,22+,27?/m0/s1
InChIKeyWAGHUGSJSCVFJY-VYEWMXHSSA-N
XLogP4.69
TPSA58.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.61
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-(2-hydroxyethyl)amino]ethanol with MolForge

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Related Compounds

N-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-3,3-dimethylbutanamide
CID 68790007
1-benzyl-1-ethyl-3-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]urea
CID 68793523
N-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-3-phenylpropanamide
CID 68793510
N-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-3,5-dimethylpiperidine-1-carboxamide
CID 68790456
N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-hydroxyethyl)-4-phenoxybenzenesulfonamide
CID 67197957
(4R,5S)-1-(4-fluorophenyl)-N-(2-hydroxyethyl)-4-methyl-N-phenyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazole-5-carboxamide
CID 66863170
1-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 68789760
3-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-1-(6-methoxy-2-pyridinyl)-1-methylurea
CID 68789958
N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]pentan-2-yl]butanamide
CID 68757046
2-chloro-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-hydroxyethyl)-5-(trifluoromethyl)benzenesulfonamide
CID 67199857
2-cyclohexyl-N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]pentan-2-yl]acetamide
CID 68758237
2,2,2-trifluoro-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-[(2S)-2-hydroxypropyl]ethanesulfonamide
CID 67198950

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-(2-hydroxyethyl)amino]ethanol (CID 68791820) is 2-[[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-(2-hydroxyethyl)amino]ethanol is C[C@H]1C2=CNN(c3ccc(F)cc3)C2=CC2=C1[C@@H](CC(c1ccccc1)N(CCO)CCO)CC2.
What is the InChIKey of 2-[[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-(2-hydroxyethyl)amino]ethanol?
The InChIKey is WAGHUGSJSCVFJY-VYEWMXHSSA-N. The full InChI is InChI=1S/C29H34FN3O2/c1-20-26-19-31-33(25-11-9-24(30)10-12-25)28(26)18-23-8-7-22(29(20)23)17-27(21-5-3-2-4-6-21)32(13-15-34)14-16-35/h2-6,9-12,18-20,22,27,31,34-35H,7-8,13-17H2,1H3/t20-,22+,27?/m0/s1.
What are the key properties of 2-[[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-(2-hydroxyethyl)amino]ethanol?
2-[[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-(2-hydroxyethyl)amino]ethanol has a molecular weight of 475.61 g/mol, XLogP of 4.69, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 68791820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).