[(1R,5R,6R)-1-[[1-(4-fluorophenyl)-6-methylindazol-5-yl]methyl]-3-(2-methyltriazol-4-yl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol

C24H25FN6O3S — CID 170047531

IUPAC[(1R,5R,6R)-1-[[1-(4-fluorophenyl)-6-methylindazol-5-yl]methyl]-3-(2-methyltriazol-4-yl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1C[C@@]12CN(S(=O)(=O)c3cnn(C)n3)C[C@@H]1[C@H]2CO
InChIInChI=1S/C24H25FN6O3S/c1-15-7-22-17(10-27-31(22)19-5-3-18(25)4-6-19)8-16(15)9-24-14-30(12-20(24)21(24)13-32)35(33,34)23-11-26-29(2)28-23/h3-8,10-11,20-21,32H,9,12-14H2,1-2H3/t20-,21-,24-/m1/s1
InChIKeyOKBWAWIVYXXCJQ-PQNGQFLHSA-N
MW496.57 g/mol
LogP2.07
Rot. Bonds6

About [(1R,5R,6R)-1-[[1-(4-fluorophenyl)-6-methylindazol-5-yl]methyl]-3-(2-methyltriazol-4-yl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol

[(1R,5R,6R)-1-[[1-(4-fluorophenyl)-6-methylindazol-5-yl]methyl]-3-(2-methyltriazol-4-yl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol (PubChem CID 170047531) has the molecular formula C24H25FN6O3S and a molecular weight of 496.57 g/mol. Its IUPAC name is [(1R,5R,6R)-1-[[1-(4-fluorophenyl)-6-methylindazol-5-yl]methyl]-3-(2-methyltriazol-4-yl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol.

Molecular Properties

Compound Name[(1R,5R,6R)-1-[[1-(4-fluorophenyl)-6-methylindazol-5-yl]methyl]-3-(2-methyltriazol-4-yl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol
PubChem CID170047531
Molecular FormulaC24H25FN6O3S
Molecular Weight496.57 g/mol
Exact Mass496.17
IUPAC Name[(1R,5R,6R)-1-[[1-(4-fluorophenyl)-6-methylindazol-5-yl]methyl]-3-(2-methyltriazol-4-yl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1C[C@@]12CN(S(=O)(=O)c3cnn(C)n3)C[C@@H]1[C@H]2CO
InChIInChI=1S/C24H25FN6O3S/c1-15-7-22-17(10-27-31(22)19-5-3-18(25)4-6-19)8-16(15)9-24-14-30(12-20(24)21(24)13-32)35(33,34)23-11-26-29(2)28-23/h3-8,10-11,20-21,32H,9,12-14H2,1-2H3/t20-,21-,24-/m1/s1
InChIKeyOKBWAWIVYXXCJQ-PQNGQFLHSA-N
XLogP2.07
TPSA106.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.57
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [(1R,5R,6R)-1-[[1-(4-fluorophenyl)-6-methylindazol-5-yl]methyl]-3-(2-methyltriazol-4-yl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol with MolForge

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Related Compounds

azetidin-1-yl-[(1S,5S,6S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-3-(2-methyltriazol-4-yl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]methanone
CID 168960914
1-(4-fluorophenyl)-6-methyl-5-[(1S,5R,6S)-6-(4-methylphenyl)-3-(2-methyltriazol-4-yl)sulfonyl-3-azabicyclo[3.1.0]hexan-1-yl]indazole
CID 170044618
(1R,5R,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-(2-methylpropyl)-3-(2-methyltriazol-4-yl)sulfonyl-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 168960875
(1R,5R,6R)-N-cyclobutyl-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-3-(2-methyltriazol-4-yl)sulfonyl-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 168960870
(1S,5S,6S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-methyl-3-(2-methyltriazol-4-yl)sulfonyl-N-phenyl-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 168960968
2-[(1R,5R,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-3-(2-methyltriazol-4-yl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,3-benzoxazole
CID 168960897
1-(4-fluorophenyl)-6-methyl-5-[(2S)-4-(2-methyltriazol-4-yl)sulfonylpiperazin-2-yl]indazole
CID 168813243
1-[(2R)-2-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-(2-methyltriazol-4-yl)sulfonylpiperazin-1-yl]propan-2-one
CID 168813207
1-(4-fluorophenyl)-6-methyl-5-[1-(2-methylpropyl)-4-(2-methyltriazol-4-yl)sulfonylpiperazin-2-yl]indazole
CID 168813134
1-(4-fluorophenyl)-6-methyl-5-[(2S,6R)-6-methyl-1-(2-methylpropyl)-4-(2-methyltriazol-4-yl)sulfonylpiperazin-2-yl]indazole
CID 168812898
5-[(2S)-1-(cyclobutylmethyl)-4-(2-methyltriazol-4-yl)sulfonylpiperazin-2-yl]-1-(4-fluorophenyl)-6-methylindazole
CID 168812921
1-(4-fluorophenyl)-6-methyl-5-[(2R)-4-(2-methyltriazol-4-yl)sulfonyl-1-(3,3,3-trifluoro-2,2-dimethylpropyl)piperazin-2-yl]indazole
CID 168812810

Frequently Asked Questions

What is the IUPAC name of [(1R,5R,6R)-1-[[1-(4-fluorophenyl)-6-methylindazol-5-yl]methyl]-3-(2-methyltriazol-4-yl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The IUPAC name of [(1R,5R,6R)-1-[[1-(4-fluorophenyl)-6-methylindazol-5-yl]methyl]-3-(2-methyltriazol-4-yl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol (CID 170047531) is [(1R,5R,6R)-1-[[1-(4-fluorophenyl)-6-methylindazol-5-yl]methyl]-3-(2-methyltriazol-4-yl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol.
What is the SMILES notation for [(1R,5R,6R)-1-[[1-(4-fluorophenyl)-6-methylindazol-5-yl]methyl]-3-(2-methyltriazol-4-yl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The canonical SMILES for [(1R,5R,6R)-1-[[1-(4-fluorophenyl)-6-methylindazol-5-yl]methyl]-3-(2-methyltriazol-4-yl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol is Cc1cc2c(cnn2-c2ccc(F)cc2)cc1C[C@@]12CN(S(=O)(=O)c3cnn(C)n3)C[C@@H]1[C@H]2CO.
What is the InChIKey of [(1R,5R,6R)-1-[[1-(4-fluorophenyl)-6-methylindazol-5-yl]methyl]-3-(2-methyltriazol-4-yl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The InChIKey is OKBWAWIVYXXCJQ-PQNGQFLHSA-N. The full InChI is InChI=1S/C24H25FN6O3S/c1-15-7-22-17(10-27-31(22)19-5-3-18(25)4-6-19)8-16(15)9-24-14-30(12-20(24)21(24)13-32)35(33,34)23-11-26-29(2)28-23/h3-8,10-11,20-21,32H,9,12-14H2,1-2H3/t20-,21-,24-/m1/s1.
What are the key properties of [(1R,5R,6R)-1-[[1-(4-fluorophenyl)-6-methylindazol-5-yl]methyl]-3-(2-methyltriazol-4-yl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
[(1R,5R,6R)-1-[[1-(4-fluorophenyl)-6-methylindazol-5-yl]methyl]-3-(2-methyltriazol-4-yl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol has a molecular weight of 496.57 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5R,6R)-1-[[1-(4-fluorophenyl)-6-methylindazol-5-yl]methyl]-3-(2-methyltriazol-4-yl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol is sourced from PubChem (CID 170047531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).