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

C32H35FN4O2 — CID 68792816

IUPACN-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-2-(5-hydroxy-1H-indol-3-yl)acetamide
SMILESCCCC(C[C@H]1CCC2=C1[C@@H](C)c1cnn(-c3ccc(F)cc3)c1C2)NC(=O)Cc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C32H35FN4O2/c1-3-4-24(36-31(39)15-22-17-34-29-12-11-26(38)16-27(22)29)13-20-5-6-21-14-30-28(19(2)32(20)21)18-35-37(30)25-9-7-23(33)8-10-25/h7-12,16-20,24,34,38H,3-6,13-15H2,1-2H3,(H,36,39)/t19-,20+,24?/m0/s1
InChIKeyOMPOJDLLYOJGSX-ZPVKFHTISA-N
MW526.66 g/mol
LogP6.48
Rot. Bonds8

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

N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-2-(5-hydroxy-1H-indol-3-yl)acetamide (PubChem CID 68792816) has the molecular formula C32H35FN4O2 and a molecular weight of 526.66 g/mol. Its IUPAC name is N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-2-(5-hydroxy-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-2-(5-hydroxy-1H-indol-3-yl)acetamide
PubChem CID68792816
Molecular FormulaC32H35FN4O2
Molecular Weight526.66 g/mol
Exact Mass526.27
IUPAC NameN-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-2-(5-hydroxy-1H-indol-3-yl)acetamide
SMILESCCCC(C[C@H]1CCC2=C1[C@@H](C)c1cnn(-c3ccc(F)cc3)c1C2)NC(=O)Cc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C32H35FN4O2/c1-3-4-24(36-31(39)15-22-17-34-29-12-11-26(38)16-27(22)29)13-20-5-6-21-14-30-28(19(2)32(20)21)18-35-37(30)25-9-7-23(33)8-10-25/h7-12,16-20,24,34,38H,3-6,13-15H2,1-2H3,(H,36,39)/t19-,20+,24?/m0/s1
InChIKeyOMPOJDLLYOJGSX-ZPVKFHTISA-N
XLogP6.48
TPSA82.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.66
LogP ≤ 56.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-2-(5-hydroxy-1H-indol-3-yl)acetamide?
The IUPAC name of N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-2-(5-hydroxy-1H-indol-3-yl)acetamide (CID 68792816) is N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-2-(5-hydroxy-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-2-(5-hydroxy-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-2-(5-hydroxy-1H-indol-3-yl)acetamide is CCCC(C[C@H]1CCC2=C1[C@@H](C)c1cnn(-c3ccc(F)cc3)c1C2)NC(=O)Cc1c[nH]c2ccc(O)cc12.
What is the InChIKey of N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-2-(5-hydroxy-1H-indol-3-yl)acetamide?
The InChIKey is OMPOJDLLYOJGSX-ZPVKFHTISA-N. The full InChI is InChI=1S/C32H35FN4O2/c1-3-4-24(36-31(39)15-22-17-34-29-12-11-26(38)16-27(22)29)13-20-5-6-21-14-30-28(19(2)32(20)21)18-35-37(30)25-9-7-23(33)8-10-25/h7-12,16-20,24,34,38H,3-6,13-15H2,1-2H3,(H,36,39)/t19-,20+,24?/m0/s1.
What are the key properties of N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-2-(5-hydroxy-1H-indol-3-yl)acetamide?
N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-2-(5-hydroxy-1H-indol-3-yl)acetamide has a molecular weight of 526.66 g/mol, XLogP of 6.48, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-2-(5-hydroxy-1H-indol-3-yl)acetamide is sourced from PubChem (CID 68792816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).