1-[(2R)-2-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-(2-methyltriazol-4-yl)sulfonylpiperazin-1-yl]propan-2-one

C24H26FN7O3S — CID 168813207

IUPAC1-[(2R)-2-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-(2-methyltriazol-4-yl)sulfonylpiperazin-1-yl]propan-2-one
SMILESCC(=O)CN1CCN(S(=O)(=O)c2cnn(C)n2)C[C@H]1c1cc2cnn(-c3ccc(F)cc3)c2cc1C
InChIInChI=1S/C24H26FN7O3S/c1-16-10-22-18(12-27-32(22)20-6-4-19(25)5-7-20)11-21(16)23-15-31(9-8-30(23)14-17(2)33)36(34,35)24-13-26-29(3)28-24/h4-7,10-13,23H,8-9,14-15H2,1-3H3/t23-/m0/s1
InChIKeyYAJMOHJUSVCLAN-QHCPKHFHSA-N
MW511.58 g/mol
LogP2.24
Rot. Bonds6

About 1-[(2R)-2-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-(2-methyltriazol-4-yl)sulfonylpiperazin-1-yl]propan-2-one

1-[(2R)-2-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-(2-methyltriazol-4-yl)sulfonylpiperazin-1-yl]propan-2-one (PubChem CID 168813207) has the molecular formula C24H26FN7O3S and a molecular weight of 511.58 g/mol. Its IUPAC name is 1-[(2R)-2-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-(2-methyltriazol-4-yl)sulfonylpiperazin-1-yl]propan-2-one.

Molecular Properties

Compound Name1-[(2R)-2-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-(2-methyltriazol-4-yl)sulfonylpiperazin-1-yl]propan-2-one
PubChem CID168813207
Molecular FormulaC24H26FN7O3S
Molecular Weight511.58 g/mol
Exact Mass511.18
IUPAC Name1-[(2R)-2-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-(2-methyltriazol-4-yl)sulfonylpiperazin-1-yl]propan-2-one
SMILESCC(=O)CN1CCN(S(=O)(=O)c2cnn(C)n2)C[C@H]1c1cc2cnn(-c3ccc(F)cc3)c2cc1C
InChIInChI=1S/C24H26FN7O3S/c1-16-10-22-18(12-27-32(22)20-6-4-19(25)5-7-20)11-21(16)23-15-31(9-8-30(23)14-17(2)33)36(34,35)24-13-26-29(3)28-24/h4-7,10-13,23H,8-9,14-15H2,1-3H3/t23-/m0/s1
InChIKeyYAJMOHJUSVCLAN-QHCPKHFHSA-N
XLogP2.24
TPSA106.22 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.58
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

1-(4-fluorophenyl)-6-methyl-5-[1-(2-methylpropyl)-4-(2-methyltriazol-4-yl)sulfonylpiperazin-2-yl]indazole
CID 168813134
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
5-[(2S)-1-benzyl-4-(2-methyltriazol-4-yl)sulfonylpiperazin-2-yl]-1-(4-fluorophenyl)-6-methylindazole
CID 168813238
4-[[(2R)-2-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-(2-methyltriazol-4-yl)sulfonylpiperazin-1-yl]methyl]pyrrolidin-2-one
CID 168812830
1-(4-fluorophenyl)-6-methyl-5-[(2S)-4-(2-methyltriazol-4-yl)sulfonyl-1-(oxetan-3-yl)piperazin-2-yl]indazole
CID 168812942
1-(4-fluorophenyl)-5-[(2R)-1-(3-methoxycyclobutyl)-4-(2-methyltriazol-4-yl)sulfonylpiperazin-2-yl]-6-methylindazole
CID 168813115
6-fluoro-1-(4-fluorophenyl)-5-[1-(2-methylpropyl)-4-(2-methyltriazol-4-yl)sulfonylpiperazin-2-yl]indazole
CID 168813143
1-(4-fluorophenyl)-6-methyl-5-[(2S)-4-(2-methyltriazol-4-yl)sulfonylpiperazin-2-yl]indazole
CID 168813243
1-(4-fluorophenyl)-6-methyl-5-[(2S,6R)-6-methyl-1-(2-methylpropyl)-4-(2-methyltriazol-4-yl)sulfonylpiperazin-2-yl]indazole
CID 168812898
1-(4-fluorophenyl)-6-methyl-5-[(2S)-1-(2-methylpropyl)-4-pyridin-2-ylsulfonylpiperazin-2-yl]indazole
CID 168813291
4-[(3R)-3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-(2-methylpropyl)piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole
CID 168812920

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-(2-methyltriazol-4-yl)sulfonylpiperazin-1-yl]propan-2-one?
The IUPAC name of 1-[(2R)-2-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-(2-methyltriazol-4-yl)sulfonylpiperazin-1-yl]propan-2-one (CID 168813207) is 1-[(2R)-2-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-(2-methyltriazol-4-yl)sulfonylpiperazin-1-yl]propan-2-one.
What is the SMILES notation for 1-[(2R)-2-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-(2-methyltriazol-4-yl)sulfonylpiperazin-1-yl]propan-2-one?
The canonical SMILES for 1-[(2R)-2-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-(2-methyltriazol-4-yl)sulfonylpiperazin-1-yl]propan-2-one is CC(=O)CN1CCN(S(=O)(=O)c2cnn(C)n2)C[C@H]1c1cc2cnn(-c3ccc(F)cc3)c2cc1C.
What is the InChIKey of 1-[(2R)-2-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-(2-methyltriazol-4-yl)sulfonylpiperazin-1-yl]propan-2-one?
The InChIKey is YAJMOHJUSVCLAN-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H26FN7O3S/c1-16-10-22-18(12-27-32(22)20-6-4-19(25)5-7-20)11-21(16)23-15-31(9-8-30(23)14-17(2)33)36(34,35)24-13-26-29(3)28-24/h4-7,10-13,23H,8-9,14-15H2,1-3H3/t23-/m0/s1.
What are the key properties of 1-[(2R)-2-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-(2-methyltriazol-4-yl)sulfonylpiperazin-1-yl]propan-2-one?
1-[(2R)-2-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-(2-methyltriazol-4-yl)sulfonylpiperazin-1-yl]propan-2-one has a molecular weight of 511.58 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-(2-methyltriazol-4-yl)sulfonylpiperazin-1-yl]propan-2-one is sourced from PubChem (CID 168813207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).