1-(4-fluorophenyl)-6-methylindazole;[3-(2-methyltriazol-4-yl)sulfinyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol

C23H25FN6O2S — CID 168960768

IUPAC1-(4-fluorophenyl)-6-methylindazole;[3-(2-methyltriazol-4-yl)sulfinyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol
SMILESCc1ccc2cnn(-c3ccc(F)cc3)c2c1.Cn1ncc(S(=O)N2CC3C(CO)C3C2)n1
InChIInChI=1S/C14H11FN2.C9H14N4O2S/c1-10-2-3-11-9-16-17(14(11)8-10)13-6-4-12(15)5-7-13;1-12-10-2-9(11-12)16(15)13-3-6-7(4-13)8(6)5-14/h2-9H,1H3;2,6-8,14H,3-5H2,1H3
InChIKeyFAXWGGYRENCTLA-UHFFFAOYSA-N
MW468.56 g/mol
LogP2.48
Rot. Bonds4

About 1-(4-fluorophenyl)-6-methylindazole;[3-(2-methyltriazol-4-yl)sulfinyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol

1-(4-fluorophenyl)-6-methylindazole;[3-(2-methyltriazol-4-yl)sulfinyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol (PubChem CID 168960768) has the molecular formula C23H25FN6O2S and a molecular weight of 468.56 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6-methylindazole;[3-(2-methyltriazol-4-yl)sulfinyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6-methylindazole;[3-(2-methyltriazol-4-yl)sulfinyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol
PubChem CID168960768
Molecular FormulaC23H25FN6O2S
Molecular Weight468.56 g/mol
Exact Mass468.17
IUPAC Name1-(4-fluorophenyl)-6-methylindazole;[3-(2-methyltriazol-4-yl)sulfinyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol
SMILESCc1ccc2cnn(-c3ccc(F)cc3)c2c1.Cn1ncc(S(=O)N2CC3C(CO)C3C2)n1
InChIInChI=1S/C14H11FN2.C9H14N4O2S/c1-10-2-3-11-9-16-17(14(11)8-10)13-6-4-12(15)5-7-13;1-12-10-2-9(11-12)16(15)13-3-6-7(4-13)8(6)5-14/h2-9H,1H3;2,6-8,14H,3-5H2,1H3
InChIKeyFAXWGGYRENCTLA-UHFFFAOYSA-N
XLogP2.48
TPSA89.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-fluorophenyl)-6-methyl-5-[4-(2-methyltriazol-4-yl)sulfinyl-1-propylpiperazin-2-yl]indazole
CID 168961592
1-(4-fluorophenyl)-6-methyl-5-[4-(2-methyltriazol-4-yl)sulfinyl-1-phenylpiperazin-2-yl]indazole
CID 168961456
ethane;1-(4-fluorophenyl)-5-[1-(2-fluoropropyl)-4-(2-methyltriazol-4-yl)sulfinylpiperazin-2-yl]-6-methylindazole
CID 168961554
3-azabicyclo[3.1.0]hexan-3-yl-(3-methyltriazol-4-yl)methanone;benzene;1-(4-fluorophenyl)-6-methylindazole
CID 168961154
[(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
6-(3-azabicyclo[3.1.0]hexane-3-carbonyl)pyridine-2-carbonitrile;buta-1,3-diene;1-(4-fluorophenyl)-6-methylindazole;methane
CID 168961079
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
[4-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-1-(1-propylpyrazol-4-yl)sulfinylpiperidin-4-yl]methanol
CID 166917383
1-(4-fluorophenyl)-6-methyl-5-[1-(2-methylpropyl)-4-pyridin-2-ylsulfinylpiperazin-2-yl]indazole
CID 168961535
2-(3-azabicyclo[3.1.0]hexane-3-carbonyl)benzonitrile;1-(4-fluorophenyl)-6-methylindazole;(3Z)-penta-1,3-diene
CID 168960953
5-[1-ethyl-4-(2-methyltriazol-4-yl)sulfanylpiperazin-2-yl]-1-(4-fluorophenyl)-6-methylindazole
CID 168961481
1-[(2R)-2-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-(2-methyltriazol-4-yl)sulfonylpiperazin-1-yl]propan-2-one
CID 168813207

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-6-methylindazole;[3-(2-methyltriazol-4-yl)sulfinyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The IUPAC name of 1-(4-fluorophenyl)-6-methylindazole;[3-(2-methyltriazol-4-yl)sulfinyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol (CID 168960768) is 1-(4-fluorophenyl)-6-methylindazole;[3-(2-methyltriazol-4-yl)sulfinyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol.
What is the SMILES notation for 1-(4-fluorophenyl)-6-methylindazole;[3-(2-methyltriazol-4-yl)sulfinyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The canonical SMILES for 1-(4-fluorophenyl)-6-methylindazole;[3-(2-methyltriazol-4-yl)sulfinyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol is Cc1ccc2cnn(-c3ccc(F)cc3)c2c1.Cn1ncc(S(=O)N2CC3C(CO)C3C2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-6-methylindazole;[3-(2-methyltriazol-4-yl)sulfinyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The InChIKey is FAXWGGYRENCTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2.C9H14N4O2S/c1-10-2-3-11-9-16-17(14(11)8-10)13-6-4-12(15)5-7-13;1-12-10-2-9(11-12)16(15)13-3-6-7(4-13)8(6)5-14/h2-9H,1H3;2,6-8,14H,3-5H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-6-methylindazole;[3-(2-methyltriazol-4-yl)sulfinyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
1-(4-fluorophenyl)-6-methylindazole;[3-(2-methyltriazol-4-yl)sulfinyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol has a molecular weight of 468.56 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6-methylindazole;[3-(2-methyltriazol-4-yl)sulfinyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol is sourced from PubChem (CID 168960768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).