ethane;7-fluoro-2,5-dimethylindazole;2,5,7-trimethylindazole

C23H33FN4 — CID 156888629

IUPACethane;7-fluoro-2,5-dimethylindazole;2,5,7-trimethylindazole
SMILESCC.CC.Cc1cc(C)c2nn(C)cc2c1.Cc1cc(F)c2nn(C)cc2c1
InChIInChI=1S/C10H12N2.C9H9FN2.2C2H6/c1-7-4-8(2)10-9(5-7)6-12(3)11-10;1-6-3-7-5-12(2)11-9(7)8(10)4-6;2*1-2/h4-6H,1-3H3;3-5H,1-2H3;2*1-2H3
InChIKeyKPJZGQSHLHUITC-UHFFFAOYSA-N
MW384.54 g/mol
LogP6.26
Rot. Bonds

About ethane;7-fluoro-2,5-dimethylindazole;2,5,7-trimethylindazole

ethane;7-fluoro-2,5-dimethylindazole;2,5,7-trimethylindazole (PubChem CID 156888629) has the molecular formula C23H33FN4 and a molecular weight of 384.54 g/mol. Its IUPAC name is ethane;7-fluoro-2,5-dimethylindazole;2,5,7-trimethylindazole.

Molecular Properties

Compound Nameethane;7-fluoro-2,5-dimethylindazole;2,5,7-trimethylindazole
PubChem CID156888629
Molecular FormulaC23H33FN4
Molecular Weight384.54 g/mol
Exact Mass384.27
IUPAC Nameethane;7-fluoro-2,5-dimethylindazole;2,5,7-trimethylindazole
SMILESCC.CC.Cc1cc(C)c2nn(C)cc2c1.Cc1cc(F)c2nn(C)cc2c1
InChIInChI=1S/C10H12N2.C9H9FN2.2C2H6/c1-7-4-8(2)10-9(5-7)6-12(3)11-10;1-6-3-7-5-12(2)11-9(7)8(10)4-6;2*1-2/h4-6H,1-3H3;3-5H,1-2H3;2*1-2H3
InChIKeyKPJZGQSHLHUITC-UHFFFAOYSA-N
XLogP6.26
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.54
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;2,5,7-trimethylindazole
CID 156845071
ethane;N,2,5-trimethylindazol-7-amine
CID 176566989
2-chloro-6-(2,7-dimethylindazol-5-yl)-8-fluoroquinoline
CID 142492191
5-(3-fluoro-4-propan-2-ylphenyl)-2,7-dimethylindazole
CID 171760423
7-fluoro-5-(1H-imidazol-2-yl)-2-methylindazole
CID 175904167
ethane;2,5,7-trimethylindazol-6-ol
CID 162433004
(7-fluoro-2-methylindazol-5-yl)-methyl-propylborane
CID 168978878
5-amino-2,7-dimethylindazol-6-ol;2,5-dimethylindazol-7-amine;ethane
CID 176566536
7-fluoro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 139022780
(7-fluoro-2,5-dimethylindazol-6-yl)methanol
CID 176566434
7-chloro-6-fluoro-2,4-dimethylindazole
CID 166076486
8-fluoro-2-methylimidazo[1,2-a]pyridin-6-amine;7-fluoro-2-methylindazol-5-amine
CID 156888280

Frequently Asked Questions

What is the IUPAC name of ethane;7-fluoro-2,5-dimethylindazole;2,5,7-trimethylindazole?
The IUPAC name of ethane;7-fluoro-2,5-dimethylindazole;2,5,7-trimethylindazole (CID 156888629) is ethane;7-fluoro-2,5-dimethylindazole;2,5,7-trimethylindazole.
What is the SMILES notation for ethane;7-fluoro-2,5-dimethylindazole;2,5,7-trimethylindazole?
The canonical SMILES for ethane;7-fluoro-2,5-dimethylindazole;2,5,7-trimethylindazole is CC.CC.Cc1cc(C)c2nn(C)cc2c1.Cc1cc(F)c2nn(C)cc2c1.
What is the InChIKey of ethane;7-fluoro-2,5-dimethylindazole;2,5,7-trimethylindazole?
The InChIKey is KPJZGQSHLHUITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.C9H9FN2.2C2H6/c1-7-4-8(2)10-9(5-7)6-12(3)11-10;1-6-3-7-5-12(2)11-9(7)8(10)4-6;2*1-2/h4-6H,1-3H3;3-5H,1-2H3;2*1-2H3.
What are the key properties of ethane;7-fluoro-2,5-dimethylindazole;2,5,7-trimethylindazole?
ethane;7-fluoro-2,5-dimethylindazole;2,5,7-trimethylindazole has a molecular weight of 384.54 g/mol, XLogP of 6.26, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-fluoro-2,5-dimethylindazole;2,5,7-trimethylindazole is sourced from PubChem (CID 156888629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).