(1S,5R,6S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-methyl-6-phenyl-3-azabicyclo[3.1.0]hexane-3-sulfonamide

C26H25FN4O2S — CID 168960846

IUPAC(1S,5R,6S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-methyl-6-phenyl-3-azabicyclo[3.1.0]hexane-3-sulfonamide
SMILESCNS(=O)(=O)N1C[C@@H]2[C@@H](c3ccccc3)[C@]2(c2cc3cnn(-c4ccc(F)cc4)c3cc2C)C1
InChIInChI=1S/C26H25FN4O2S/c1-17-12-24-19(14-29-31(24)21-10-8-20(27)9-11-21)13-22(17)26-16-30(34(32,33)28-2)15-23(26)25(26)18-6-4-3-5-7-18/h3-14,23,25,28H,15-16H2,1-2H3/t23-,25-,26+/m1/s1
InChIKeyZKDPAGWTQULZSI-ARMFNRFLSA-N
MW476.58 g/mol
LogP3.90
Rot. Bonds5

About (1S,5R,6S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-methyl-6-phenyl-3-azabicyclo[3.1.0]hexane-3-sulfonamide

(1S,5R,6S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-methyl-6-phenyl-3-azabicyclo[3.1.0]hexane-3-sulfonamide (PubChem CID 168960846) has the molecular formula C26H25FN4O2S and a molecular weight of 476.58 g/mol. Its IUPAC name is (1S,5R,6S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-methyl-6-phenyl-3-azabicyclo[3.1.0]hexane-3-sulfonamide.

Molecular Properties

Compound Name(1S,5R,6S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-methyl-6-phenyl-3-azabicyclo[3.1.0]hexane-3-sulfonamide
PubChem CID168960846
Molecular FormulaC26H25FN4O2S
Molecular Weight476.58 g/mol
Exact Mass476.17
IUPAC Name(1S,5R,6S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-methyl-6-phenyl-3-azabicyclo[3.1.0]hexane-3-sulfonamide
SMILESCNS(=O)(=O)N1C[C@@H]2[C@@H](c3ccccc3)[C@]2(c2cc3cnn(-c4ccc(F)cc4)c3cc2C)C1
InChIInChI=1S/C26H25FN4O2S/c1-17-12-24-19(14-29-31(24)21-10-8-20(27)9-11-21)13-22(17)26-16-30(34(32,33)28-2)15-23(26)25(26)18-6-4-3-5-7-18/h3-14,23,25,28H,15-16H2,1-2H3/t23-,25-,26+/m1/s1
InChIKeyZKDPAGWTQULZSI-ARMFNRFLSA-N
XLogP3.90
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]methanesulfonamide
CID 24936311
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]ethanesulfonamide
CID 24936314
2,2,2-trifluoro-N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]ethanesulfonamide
CID 24936449
6-(2-fluoro-6-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazole-5-carbonitrile
CID 155817684
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenylpropyl]methanesulfonamide
CID 73352322
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenylpropyl]ethanesulfonamide
CID 73355320
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]propane-1-sulfonamide
CID 59251055
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]cyclopropanesulfonamide
CID 59251186
N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]ethanesulfonamide
CID 46831700
N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]methanesulfonamide
CID 46831701
N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]propane-1-sulfonamide
CID 46831957
N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]propane-2-sulfonamide
CID 46832237

Frequently Asked Questions

What is the IUPAC name of (1S,5R,6S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-methyl-6-phenyl-3-azabicyclo[3.1.0]hexane-3-sulfonamide?
The IUPAC name of (1S,5R,6S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-methyl-6-phenyl-3-azabicyclo[3.1.0]hexane-3-sulfonamide (CID 168960846) is (1S,5R,6S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-methyl-6-phenyl-3-azabicyclo[3.1.0]hexane-3-sulfonamide.
What is the SMILES notation for (1S,5R,6S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-methyl-6-phenyl-3-azabicyclo[3.1.0]hexane-3-sulfonamide?
The canonical SMILES for (1S,5R,6S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-methyl-6-phenyl-3-azabicyclo[3.1.0]hexane-3-sulfonamide is CNS(=O)(=O)N1C[C@@H]2[C@@H](c3ccccc3)[C@]2(c2cc3cnn(-c4ccc(F)cc4)c3cc2C)C1.
What is the InChIKey of (1S,5R,6S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-methyl-6-phenyl-3-azabicyclo[3.1.0]hexane-3-sulfonamide?
The InChIKey is ZKDPAGWTQULZSI-ARMFNRFLSA-N. The full InChI is InChI=1S/C26H25FN4O2S/c1-17-12-24-19(14-29-31(24)21-10-8-20(27)9-11-21)13-22(17)26-16-30(34(32,33)28-2)15-23(26)25(26)18-6-4-3-5-7-18/h3-14,23,25,28H,15-16H2,1-2H3/t23-,25-,26+/m1/s1.
What are the key properties of (1S,5R,6S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-methyl-6-phenyl-3-azabicyclo[3.1.0]hexane-3-sulfonamide?
(1S,5R,6S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-methyl-6-phenyl-3-azabicyclo[3.1.0]hexane-3-sulfonamide has a molecular weight of 476.58 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,6S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-methyl-6-phenyl-3-azabicyclo[3.1.0]hexane-3-sulfonamide is sourced from PubChem (CID 168960846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).