(4R,5R)-1-(4-fluorophenyl)-4-methyl-N-(2-sulfamoylphenyl)-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide

C24H23FN4O3S — CID 66862264

IUPAC(4R,5R)-1-(4-fluorophenyl)-4-methyl-N-(2-sulfamoylphenyl)-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide
SMILESC[C@@H]1C2=C(CC[C@H]2C(=O)Nc2ccccc2S(N)(=O)=O)Cc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C24H23FN4O3S/c1-14-19-13-27-29(17-9-7-16(25)8-10-17)21(19)12-15-6-11-18(23(14)15)24(30)28-20-4-2-3-5-22(20)33(26,31)32/h2-5,7-10,13-14,18H,6,11-12H2,1H3,(H,28,30)(H2,26,31,32)/t14-,18+/m0/s1
InChIKeyGXJWTRBCWZNBIG-KBXCAEBGSA-N
MW466.54 g/mol
LogP3.66
Rot. Bonds4

About (4R,5R)-1-(4-fluorophenyl)-4-methyl-N-(2-sulfamoylphenyl)-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide

(4R,5R)-1-(4-fluorophenyl)-4-methyl-N-(2-sulfamoylphenyl)-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide (PubChem CID 66862264) has the molecular formula C24H23FN4O3S and a molecular weight of 466.54 g/mol. Its IUPAC name is (4R,5R)-1-(4-fluorophenyl)-4-methyl-N-(2-sulfamoylphenyl)-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide.

Molecular Properties

Compound Name(4R,5R)-1-(4-fluorophenyl)-4-methyl-N-(2-sulfamoylphenyl)-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide
PubChem CID66862264
Molecular FormulaC24H23FN4O3S
Molecular Weight466.54 g/mol
Exact Mass466.15
IUPAC Name(4R,5R)-1-(4-fluorophenyl)-4-methyl-N-(2-sulfamoylphenyl)-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide
SMILESC[C@@H]1C2=C(CC[C@H]2C(=O)Nc2ccccc2S(N)(=O)=O)Cc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C24H23FN4O3S/c1-14-19-13-27-29(17-9-7-16(25)8-10-17)21(19)12-15-6-11-18(23(14)15)24(30)28-20-4-2-3-5-22(20)33(26,31)32/h2-5,7-10,13-14,18H,6,11-12H2,1H3,(H,28,30)(H2,26,31,32)/t14-,18+/m0/s1
InChIKeyGXJWTRBCWZNBIG-KBXCAEBGSA-N
XLogP3.66
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 (4R,5R)-1-(4-fluorophenyl)-4-methyl-N-(2-sulfamoylphenyl)-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide?
The IUPAC name of (4R,5R)-1-(4-fluorophenyl)-4-methyl-N-(2-sulfamoylphenyl)-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide (CID 66862264) is (4R,5R)-1-(4-fluorophenyl)-4-methyl-N-(2-sulfamoylphenyl)-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide.
What is the SMILES notation for (4R,5R)-1-(4-fluorophenyl)-4-methyl-N-(2-sulfamoylphenyl)-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide?
The canonical SMILES for (4R,5R)-1-(4-fluorophenyl)-4-methyl-N-(2-sulfamoylphenyl)-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide is C[C@@H]1C2=C(CC[C@H]2C(=O)Nc2ccccc2S(N)(=O)=O)Cc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of (4R,5R)-1-(4-fluorophenyl)-4-methyl-N-(2-sulfamoylphenyl)-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide?
The InChIKey is GXJWTRBCWZNBIG-KBXCAEBGSA-N. The full InChI is InChI=1S/C24H23FN4O3S/c1-14-19-13-27-29(17-9-7-16(25)8-10-17)21(19)12-15-6-11-18(23(14)15)24(30)28-20-4-2-3-5-22(20)33(26,31)32/h2-5,7-10,13-14,18H,6,11-12H2,1H3,(H,28,30)(H2,26,31,32)/t14-,18+/m0/s1.
What are the key properties of (4R,5R)-1-(4-fluorophenyl)-4-methyl-N-(2-sulfamoylphenyl)-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide?
(4R,5R)-1-(4-fluorophenyl)-4-methyl-N-(2-sulfamoylphenyl)-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide has a molecular weight of 466.54 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-1-(4-fluorophenyl)-4-methyl-N-(2-sulfamoylphenyl)-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide is sourced from PubChem (CID 66862264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).