N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-methoxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide

C26H29F4N5O3S — CID 67195873

IUPACN-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-methoxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide
SMILESCOCCN(C[C@H]1CCC2=C1[C@@H](C)c1cnn(-c3ccc(F)cc3)c1C2)S(=O)(=O)c1cn(C)nc1C(F)(F)F
InChIInChI=1S/C26H29F4N5O3S/c1-16-21-13-31-35(20-8-6-19(27)7-9-20)22(21)12-17-4-5-18(24(16)17)14-34(10-11-38-3)39(36,37)23-15-33(2)32-25(23)26(28,29)30/h6-9,13,15-16,18H,4-5,10-12,14H2,1-3H3/t16-,18+/m0/s1
InChIKeyLBXOWQQXVITTHF-FUHWJXTLSA-N
MW567.61 g/mol
LogP4.47
Rot. Bonds8

About N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-methoxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide

N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-methoxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide (PubChem CID 67195873) has the molecular formula C26H29F4N5O3S and a molecular weight of 567.61 g/mol. Its IUPAC name is N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-methoxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-methoxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide
PubChem CID67195873
Molecular FormulaC26H29F4N5O3S
Molecular Weight567.61 g/mol
Exact Mass567.19
IUPAC NameN-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-methoxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide
SMILESCOCCN(C[C@H]1CCC2=C1[C@@H](C)c1cnn(-c3ccc(F)cc3)c1C2)S(=O)(=O)c1cn(C)nc1C(F)(F)F
InChIInChI=1S/C26H29F4N5O3S/c1-16-21-13-31-35(20-8-6-19(27)7-9-20)22(21)12-17-4-5-18(24(16)17)14-34(10-11-38-3)39(36,37)23-15-33(2)32-25(23)26(28,29)30/h6-9,13,15-16,18H,4-5,10-12,14H2,1-3H3/t16-,18+/m0/s1
InChIKeyLBXOWQQXVITTHF-FUHWJXTLSA-N
XLogP4.47
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.61
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-methoxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide 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-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-methoxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide?
The IUPAC name of N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-methoxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide (CID 67195873) is N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-methoxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-methoxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-methoxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide is COCCN(C[C@H]1CCC2=C1[C@@H](C)c1cnn(-c3ccc(F)cc3)c1C2)S(=O)(=O)c1cn(C)nc1C(F)(F)F.
What is the InChIKey of N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-methoxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide?
The InChIKey is LBXOWQQXVITTHF-FUHWJXTLSA-N. The full InChI is InChI=1S/C26H29F4N5O3S/c1-16-21-13-31-35(20-8-6-19(27)7-9-20)22(21)12-17-4-5-18(24(16)17)14-34(10-11-38-3)39(36,37)23-15-33(2)32-25(23)26(28,29)30/h6-9,13,15-16,18H,4-5,10-12,14H2,1-3H3/t16-,18+/m0/s1.
What are the key properties of N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-methoxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide?
N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-methoxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide has a molecular weight of 567.61 g/mol, XLogP of 4.47, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-methoxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 67195873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).