5-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-8-fluoroquinolin-2-yl]-2,7-dimethylindazol-6-ol

C24H26FN5O — CID 168978120

IUPAC5-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-8-fluoroquinolin-2-yl]-2,7-dimethylindazol-6-ol
SMILESCc1c(O)c(-c2ccc3cc(N4C[C@H](C)N[C@@H](C)C4)cc(F)c3n2)cc2cn(C)nc12
InChIInChI=1S/C24H26FN5O/c1-13-10-30(11-14(2)26-13)18-7-16-5-6-21(27-23(16)20(25)9-18)19-8-17-12-29(4)28-22(17)15(3)24(19)31/h5-9,12-14,26,31H,10-11H2,1-4H3/t13-,14-/m0/s1
InChIKeyIJFBQMTXNJYOQO-KBPBESRZSA-N
MW419.50 g/mol
LogP4.13
Rot. Bonds2

About 5-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-8-fluoroquinolin-2-yl]-2,7-dimethylindazol-6-ol

5-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-8-fluoroquinolin-2-yl]-2,7-dimethylindazol-6-ol (PubChem CID 168978120) has the molecular formula C24H26FN5O and a molecular weight of 419.50 g/mol. Its IUPAC name is 5-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-8-fluoroquinolin-2-yl]-2,7-dimethylindazol-6-ol.

Molecular Properties

Compound Name5-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-8-fluoroquinolin-2-yl]-2,7-dimethylindazol-6-ol
PubChem CID168978120
Molecular FormulaC24H26FN5O
Molecular Weight419.50 g/mol
Exact Mass419.21
IUPAC Name5-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-8-fluoroquinolin-2-yl]-2,7-dimethylindazol-6-ol
SMILESCc1c(O)c(-c2ccc3cc(N4C[C@H](C)N[C@@H](C)C4)cc(F)c3n2)cc2cn(C)nc12
InChIInChI=1S/C24H26FN5O/c1-13-10-30(11-14(2)26-13)18-7-16-5-6-21(27-23(16)20(25)9-18)19-8-17-12-29(4)28-22(17)15(3)24(19)31/h5-9,12-14,26,31H,10-11H2,1-4H3/t13-,14-/m0/s1
InChIKeyIJFBQMTXNJYOQO-KBPBESRZSA-N
XLogP4.13
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-8-fluoroquinolin-2-yl]-2,7-dimethylindazol-6-ol with MolForge

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Related Compounds

6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-8-fluoro-2-(7-fluoro-2-methylindazol-5-yl)quinoline
CID 170007092
5-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-2,7-dimethylindazol-6-ol
CID 168978828
5-[5-chloro-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol
CID 170012033
5-[4-chloro-6-(3,5-dimethylpiperazin-1-yl)-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol
CID 168978379
5-[4-chloro-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol
CID 168978839
5-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-methylquinazolin-2-yl]-2,7-dimethylindazol-6-ol
CID 168977838
tert-butyl (2S,6S)-4-[8-fluoro-2-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]quinolin-6-yl]-2,6-dimethylpiperazine-1-carboxylate
CID 168978237
5-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-pyridin-2-yl-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol
CID 168978713
5-[6-[(5R)-3-[(6R)-4-[7-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridin-3-yl]-6-methylpiperazin-2-yl]-5-methylpiperazin-1-yl]-4-methoxypyrido[2,3-d]pyrimidin-2-yl]-2,7-dimethylindazol-6-ol
CID 170011873
6-(3,5-dimethylpiperazin-1-yl)-2-(6-hydroxy-2,7-dimethylindazol-5-yl)-1,8-naphthyridine-4-carbonitrile
CID 168979054
2,7-dimethyl-5-(6-pyrrolidin-1-yl-1,8-naphthyridin-2-yl)indazol-6-ol
CID 168978796
5-[4-cyclobutyl-6-(3,5-dimethylpiperazin-1-yl)quinazolin-2-yl]-2,7-dimethylindazol-6-ol
CID 168977762

Frequently Asked Questions

What is the IUPAC name of 5-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-8-fluoroquinolin-2-yl]-2,7-dimethylindazol-6-ol?
The IUPAC name of 5-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-8-fluoroquinolin-2-yl]-2,7-dimethylindazol-6-ol (CID 168978120) is 5-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-8-fluoroquinolin-2-yl]-2,7-dimethylindazol-6-ol.
What is the SMILES notation for 5-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-8-fluoroquinolin-2-yl]-2,7-dimethylindazol-6-ol?
The canonical SMILES for 5-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-8-fluoroquinolin-2-yl]-2,7-dimethylindazol-6-ol is Cc1c(O)c(-c2ccc3cc(N4C[C@H](C)N[C@@H](C)C4)cc(F)c3n2)cc2cn(C)nc12.
What is the InChIKey of 5-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-8-fluoroquinolin-2-yl]-2,7-dimethylindazol-6-ol?
The InChIKey is IJFBQMTXNJYOQO-KBPBESRZSA-N. The full InChI is InChI=1S/C24H26FN5O/c1-13-10-30(11-14(2)26-13)18-7-16-5-6-21(27-23(16)20(25)9-18)19-8-17-12-29(4)28-22(17)15(3)24(19)31/h5-9,12-14,26,31H,10-11H2,1-4H3/t13-,14-/m0/s1.
What are the key properties of 5-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-8-fluoroquinolin-2-yl]-2,7-dimethylindazol-6-ol?
5-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-8-fluoroquinolin-2-yl]-2,7-dimethylindazol-6-ol has a molecular weight of 419.50 g/mol, XLogP of 4.13, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-8-fluoroquinolin-2-yl]-2,7-dimethylindazol-6-ol is sourced from PubChem (CID 168978120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).