2-[1-[3-[2-[(4-fluoro-3-methylphenyl)methyl]indazol-4-yl]phenyl]ethenylamino]ethanol

C25H24FN3O — CID 143941074

IUPAC2-[1-[3-[2-[(4-fluoro-3-methylphenyl)methyl]indazol-4-yl]phenyl]ethenylamino]ethanol
SMILESC=C(NCCO)c1cccc(-c2cccc3nn(Cc4ccc(F)c(C)c4)cc23)c1
InChIInChI=1S/C25H24FN3O/c1-17-13-19(9-10-24(17)26)15-29-16-23-22(7-4-8-25(23)28-29)21-6-3-5-20(14-21)18(2)27-11-12-30/h3-10,13-14,16,27,30H,2,11-12,15H2,1H3
InChIKeyNETXQAABEWNKAS-UHFFFAOYSA-N
MW401.49 g/mol
LogP4.75
Rot. Bonds7

About 2-[1-[3-[2-[(4-fluoro-3-methylphenyl)methyl]indazol-4-yl]phenyl]ethenylamino]ethanol

2-[1-[3-[2-[(4-fluoro-3-methylphenyl)methyl]indazol-4-yl]phenyl]ethenylamino]ethanol (PubChem CID 143941074) has the molecular formula C25H24FN3O and a molecular weight of 401.49 g/mol. Its IUPAC name is 2-[1-[3-[2-[(4-fluoro-3-methylphenyl)methyl]indazol-4-yl]phenyl]ethenylamino]ethanol.

Molecular Properties

Compound Name2-[1-[3-[2-[(4-fluoro-3-methylphenyl)methyl]indazol-4-yl]phenyl]ethenylamino]ethanol
PubChem CID143941074
Molecular FormulaC25H24FN3O
Molecular Weight401.49 g/mol
Exact Mass401.19
IUPAC Name2-[1-[3-[2-[(4-fluoro-3-methylphenyl)methyl]indazol-4-yl]phenyl]ethenylamino]ethanol
SMILESC=C(NCCO)c1cccc(-c2cccc3nn(Cc4ccc(F)c(C)c4)cc23)c1
InChIInChI=1S/C25H24FN3O/c1-17-13-19(9-10-24(17)26)15-29-16-23-22(7-4-8-25(23)28-29)21-6-3-5-20(14-21)18(2)27-11-12-30/h3-10,13-14,16,27,30H,2,11-12,15H2,1H3
InChIKeyNETXQAABEWNKAS-UHFFFAOYSA-N
XLogP4.75
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-[2-[(4-fluoro-3-methylphenyl)methyl]indazol-4-yl]phenyl]ethenylamino]ethanol?
The IUPAC name of 2-[1-[3-[2-[(4-fluoro-3-methylphenyl)methyl]indazol-4-yl]phenyl]ethenylamino]ethanol (CID 143941074) is 2-[1-[3-[2-[(4-fluoro-3-methylphenyl)methyl]indazol-4-yl]phenyl]ethenylamino]ethanol.
What is the SMILES notation for 2-[1-[3-[2-[(4-fluoro-3-methylphenyl)methyl]indazol-4-yl]phenyl]ethenylamino]ethanol?
The canonical SMILES for 2-[1-[3-[2-[(4-fluoro-3-methylphenyl)methyl]indazol-4-yl]phenyl]ethenylamino]ethanol is C=C(NCCO)c1cccc(-c2cccc3nn(Cc4ccc(F)c(C)c4)cc23)c1.
What is the InChIKey of 2-[1-[3-[2-[(4-fluoro-3-methylphenyl)methyl]indazol-4-yl]phenyl]ethenylamino]ethanol?
The InChIKey is NETXQAABEWNKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O/c1-17-13-19(9-10-24(17)26)15-29-16-23-22(7-4-8-25(23)28-29)21-6-3-5-20(14-21)18(2)27-11-12-30/h3-10,13-14,16,27,30H,2,11-12,15H2,1H3.
What are the key properties of 2-[1-[3-[2-[(4-fluoro-3-methylphenyl)methyl]indazol-4-yl]phenyl]ethenylamino]ethanol?
2-[1-[3-[2-[(4-fluoro-3-methylphenyl)methyl]indazol-4-yl]phenyl]ethenylamino]ethanol has a molecular weight of 401.49 g/mol, XLogP of 4.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-[2-[(4-fluoro-3-methylphenyl)methyl]indazol-4-yl]phenyl]ethenylamino]ethanol is sourced from PubChem (CID 143941074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).