fluoroform;1-[1-(4-fluorophenyl)indazol-5-yl]-2-[[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-methylamino]ethanol

C24H25F4N3O — CID 143372428

IUPACfluoroform;1-[1-(4-fluorophenyl)indazol-5-yl]-2-[[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-methylamino]ethanol
SMILESC/C=C\C=C/C=C/N(C)CC(O)c1ccc2c(cnn2-c2ccc(F)cc2)c1.FC(F)F
InChIInChI=1S/C23H24FN3O.CHF3/c1-3-4-5-6-7-14-26(2)17-23(28)18-8-13-22-19(15-18)16-25-27(22)21-11-9-20(24)10-12-21;2-1(3)4/h3-16,23,28H,17H2,1-2H3;1H/b4-3-,6-5-,14-7+;
InChIKeyRDVJQSORZZXVFW-NLGZJMDBSA-N
MW447.48 g/mol
LogP5.95
Rot. Bonds7

About fluoroform;1-[1-(4-fluorophenyl)indazol-5-yl]-2-[[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-methylamino]ethanol

fluoroform;1-[1-(4-fluorophenyl)indazol-5-yl]-2-[[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-methylamino]ethanol (PubChem CID 143372428) has the molecular formula C24H25F4N3O and a molecular weight of 447.48 g/mol. Its IUPAC name is fluoroform;1-[1-(4-fluorophenyl)indazol-5-yl]-2-[[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-methylamino]ethanol.

Molecular Properties

Compound Namefluoroform;1-[1-(4-fluorophenyl)indazol-5-yl]-2-[[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-methylamino]ethanol
PubChem CID143372428
Molecular FormulaC24H25F4N3O
Molecular Weight447.48 g/mol
Exact Mass447.19
IUPAC Namefluoroform;1-[1-(4-fluorophenyl)indazol-5-yl]-2-[[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-methylamino]ethanol
SMILESC/C=C\C=C/C=C/N(C)CC(O)c1ccc2c(cnn2-c2ccc(F)cc2)c1.FC(F)F
InChIInChI=1S/C23H24FN3O.CHF3/c1-3-4-5-6-7-14-26(2)17-23(28)18-8-13-22-19(15-18)16-25-27(22)21-11-9-20(24)10-12-21;2-1(3)4/h3-16,23,28H,17H2,1-2H3;1H/b4-3-,6-5-,14-7+;
InChIKeyRDVJQSORZZXVFW-NLGZJMDBSA-N
XLogP5.95
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.48
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of fluoroform;1-[1-(4-fluorophenyl)indazol-5-yl]-2-[[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-methylamino]ethanol?
The IUPAC name of fluoroform;1-[1-(4-fluorophenyl)indazol-5-yl]-2-[[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-methylamino]ethanol (CID 143372428) is fluoroform;1-[1-(4-fluorophenyl)indazol-5-yl]-2-[[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-methylamino]ethanol.
What is the SMILES notation for fluoroform;1-[1-(4-fluorophenyl)indazol-5-yl]-2-[[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-methylamino]ethanol?
The canonical SMILES for fluoroform;1-[1-(4-fluorophenyl)indazol-5-yl]-2-[[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-methylamino]ethanol is C/C=C\C=C/C=C/N(C)CC(O)c1ccc2c(cnn2-c2ccc(F)cc2)c1.FC(F)F.
What is the InChIKey of fluoroform;1-[1-(4-fluorophenyl)indazol-5-yl]-2-[[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-methylamino]ethanol?
The InChIKey is RDVJQSORZZXVFW-NLGZJMDBSA-N. The full InChI is InChI=1S/C23H24FN3O.CHF3/c1-3-4-5-6-7-14-26(2)17-23(28)18-8-13-22-19(15-18)16-25-27(22)21-11-9-20(24)10-12-21;2-1(3)4/h3-16,23,28H,17H2,1-2H3;1H/b4-3-,6-5-,14-7+;.
What are the key properties of fluoroform;1-[1-(4-fluorophenyl)indazol-5-yl]-2-[[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-methylamino]ethanol?
fluoroform;1-[1-(4-fluorophenyl)indazol-5-yl]-2-[[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-methylamino]ethanol has a molecular weight of 447.48 g/mol, XLogP of 5.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoroform;1-[1-(4-fluorophenyl)indazol-5-yl]-2-[[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-methylamino]ethanol is sourced from PubChem (CID 143372428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).