N-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide

C35H33FN4O2 — CID 68787992

IUPACN-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide
SMILESC[C@@H]1C2=C(CC[C@@H]2CC(NC(=O)Cc2c[nH]c3ccc(O)cc23)c2ccccc2)Cc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C35H33FN4O2/c1-21-30-20-38-40(27-11-9-26(36)10-12-27)33(30)16-24-8-7-23(35(21)24)15-32(22-5-3-2-4-6-22)39-34(42)17-25-19-37-31-14-13-28(41)18-29(25)31/h2-6,9-14,18-21,23,32,37,41H,7-8,15-17H2,1H3,(H,39,42)/t21-,23+,32?/m0/s1
InChIKeyOGLSELHVTAVGBA-WEZKQISJSA-N
MW560.67 g/mol
LogP7.05
Rot. Bonds7

About N-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide

N-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide (PubChem CID 68787992) has the molecular formula C35H33FN4O2 and a molecular weight of 560.67 g/mol. Its IUPAC name is N-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide
PubChem CID68787992
Molecular FormulaC35H33FN4O2
Molecular Weight560.67 g/mol
Exact Mass560.26
IUPAC NameN-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide
SMILESC[C@@H]1C2=C(CC[C@@H]2CC(NC(=O)Cc2c[nH]c3ccc(O)cc23)c2ccccc2)Cc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C35H33FN4O2/c1-21-30-20-38-40(27-11-9-26(36)10-12-27)33(30)16-24-8-7-23(35(21)24)15-32(22-5-3-2-4-6-22)39-34(42)17-25-19-37-31-14-13-28(41)18-29(25)31/h2-6,9-14,18-21,23,32,37,41H,7-8,15-17H2,1H3,(H,39,42)/t21-,23+,32?/m0/s1
InChIKeyOGLSELHVTAVGBA-WEZKQISJSA-N
XLogP7.05
TPSA82.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.67
LogP ≤ 57.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide?
The IUPAC name of N-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide (CID 68787992) is N-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide is C[C@@H]1C2=C(CC[C@@H]2CC(NC(=O)Cc2c[nH]c3ccc(O)cc23)c2ccccc2)Cc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of N-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide?
The InChIKey is OGLSELHVTAVGBA-WEZKQISJSA-N. The full InChI is InChI=1S/C35H33FN4O2/c1-21-30-20-38-40(27-11-9-26(36)10-12-27)33(30)16-24-8-7-23(35(21)24)15-32(22-5-3-2-4-6-22)39-34(42)17-25-19-37-31-14-13-28(41)18-29(25)31/h2-6,9-14,18-21,23,32,37,41H,7-8,15-17H2,1H3,(H,39,42)/t21-,23+,32?/m0/s1.
What are the key properties of N-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide?
N-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide has a molecular weight of 560.67 g/mol, XLogP of 7.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide is sourced from PubChem (CID 68787992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).