1-(4-fluorophenyl)-6-methyl-5-[4-(2-methyltriazol-4-yl)sulfinyl-1-propylpiperazin-2-yl]indazole

C24H28FN7OS — CID 168961592

IUPAC1-(4-fluorophenyl)-6-methyl-5-[4-(2-methyltriazol-4-yl)sulfinyl-1-propylpiperazin-2-yl]indazole
SMILESCCCN1CCN(S(=O)c2cnn(C)n2)CC1c1cc2cnn(-c3ccc(F)cc3)c2cc1C
InChIInChI=1S/C24H28FN7OS/c1-4-9-30-10-11-31(34(33)24-15-26-29(3)28-24)16-23(30)21-13-18-14-27-32(22(18)12-17(21)2)20-7-5-19(25)6-8-20/h5-8,12-15,23H,4,9-11,16H2,1-3H3
InChIKeyLDOJMHIYNWNWRE-UHFFFAOYSA-N
MW481.60 g/mol
LogP3.39
Rot. Bonds6

About 1-(4-fluorophenyl)-6-methyl-5-[4-(2-methyltriazol-4-yl)sulfinyl-1-propylpiperazin-2-yl]indazole

1-(4-fluorophenyl)-6-methyl-5-[4-(2-methyltriazol-4-yl)sulfinyl-1-propylpiperazin-2-yl]indazole (PubChem CID 168961592) has the molecular formula C24H28FN7OS and a molecular weight of 481.60 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6-methyl-5-[4-(2-methyltriazol-4-yl)sulfinyl-1-propylpiperazin-2-yl]indazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6-methyl-5-[4-(2-methyltriazol-4-yl)sulfinyl-1-propylpiperazin-2-yl]indazole
PubChem CID168961592
Molecular FormulaC24H28FN7OS
Molecular Weight481.60 g/mol
Exact Mass481.21
IUPAC Name1-(4-fluorophenyl)-6-methyl-5-[4-(2-methyltriazol-4-yl)sulfinyl-1-propylpiperazin-2-yl]indazole
SMILESCCCN1CCN(S(=O)c2cnn(C)n2)CC1c1cc2cnn(-c3ccc(F)cc3)c2cc1C
InChIInChI=1S/C24H28FN7OS/c1-4-9-30-10-11-31(34(33)24-15-26-29(3)28-24)16-23(30)21-13-18-14-27-32(22(18)12-17(21)2)20-7-5-19(25)6-8-20/h5-8,12-15,23H,4,9-11,16H2,1-3H3
InChIKeyLDOJMHIYNWNWRE-UHFFFAOYSA-N
XLogP3.39
TPSA72.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethane;1-(4-fluorophenyl)-5-[1-(2-fluoropropyl)-4-(2-methyltriazol-4-yl)sulfinylpiperazin-2-yl]-6-methylindazole
CID 168961554
1-(4-fluorophenyl)-6-methyl-5-[4-(2-methyltriazol-4-yl)sulfinyl-1-phenylpiperazin-2-yl]indazole
CID 168961456
1-(4-fluorophenyl)-6-methyl-5-[1-(2-methylpropyl)-4-pyridin-2-ylsulfinylpiperazin-2-yl]indazole
CID 168961535
5-[1-ethyl-4-(2-methyltriazol-4-yl)sulfanylpiperazin-2-yl]-1-(4-fluorophenyl)-6-methylindazole
CID 168961481
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
5-[4-cyclobutylsulfinyl-1-(3,3,3-trifluoro-2-methylpropyl)piperazin-2-yl]-1-(4-fluorophenyl)-6-methylindazole
CID 168961591
1-(4-fluorophenyl)-6-methyl-5-[1-(2-methylpropyl)-4-(2-methyltriazol-4-yl)sulfonylpiperazin-2-yl]indazole
CID 168813134
1-[(2R)-2-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-(2-methyltriazol-4-yl)sulfonylpiperazin-1-yl]propan-2-one
CID 168813207
5-[(2S)-1-(cyclobutylmethyl)-4-(2-methyltriazol-4-yl)sulfonylpiperazin-2-yl]-1-(4-fluorophenyl)-6-methylindazole
CID 168812921
1-(4-fluorophenyl)-6-methylindazole;[3-(2-methyltriazol-4-yl)sulfinyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol
CID 168960768
1-(4-fluorophenyl)-6-methyl-5-[4-(2-methyltriazol-4-yl)sulfanyl-1-(oxetan-3-ylmethyl)piperazin-2-yl]indazole
CID 168961443
5-[(2S)-1-benzyl-4-(2-methyltriazol-4-yl)sulfonylpiperazin-2-yl]-1-(4-fluorophenyl)-6-methylindazole
CID 168813238

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-6-methyl-5-[4-(2-methyltriazol-4-yl)sulfinyl-1-propylpiperazin-2-yl]indazole?
The IUPAC name of 1-(4-fluorophenyl)-6-methyl-5-[4-(2-methyltriazol-4-yl)sulfinyl-1-propylpiperazin-2-yl]indazole (CID 168961592) is 1-(4-fluorophenyl)-6-methyl-5-[4-(2-methyltriazol-4-yl)sulfinyl-1-propylpiperazin-2-yl]indazole.
What is the SMILES notation for 1-(4-fluorophenyl)-6-methyl-5-[4-(2-methyltriazol-4-yl)sulfinyl-1-propylpiperazin-2-yl]indazole?
The canonical SMILES for 1-(4-fluorophenyl)-6-methyl-5-[4-(2-methyltriazol-4-yl)sulfinyl-1-propylpiperazin-2-yl]indazole is CCCN1CCN(S(=O)c2cnn(C)n2)CC1c1cc2cnn(-c3ccc(F)cc3)c2cc1C.
What is the InChIKey of 1-(4-fluorophenyl)-6-methyl-5-[4-(2-methyltriazol-4-yl)sulfinyl-1-propylpiperazin-2-yl]indazole?
The InChIKey is LDOJMHIYNWNWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN7OS/c1-4-9-30-10-11-31(34(33)24-15-26-29(3)28-24)16-23(30)21-13-18-14-27-32(22(18)12-17(21)2)20-7-5-19(25)6-8-20/h5-8,12-15,23H,4,9-11,16H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-6-methyl-5-[4-(2-methyltriazol-4-yl)sulfinyl-1-propylpiperazin-2-yl]indazole?
1-(4-fluorophenyl)-6-methyl-5-[4-(2-methyltriazol-4-yl)sulfinyl-1-propylpiperazin-2-yl]indazole has a molecular weight of 481.60 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6-methyl-5-[4-(2-methyltriazol-4-yl)sulfinyl-1-propylpiperazin-2-yl]indazole is sourced from PubChem (CID 168961592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).