3-(hex-5-enylamino)-1-(6-methoxy-3-pyridinyl)-3H-indol-2-one;4,4,4-trifluorobut-1-ene

C24H28F3N3O2 — CID 142861763

IUPAC3-(hex-5-enylamino)-1-(6-methoxy-3-pyridinyl)-3H-indol-2-one;4,4,4-trifluorobut-1-ene
SMILESC=CCC(F)(F)F.C=CCCCCNC1C(=O)N(c2ccc(OC)nc2)c2ccccc21
InChIInChI=1S/C20H23N3O2.C4H5F3/c1-3-4-5-8-13-21-19-16-9-6-7-10-17(16)23(20(19)24)15-11-12-18(25-2)22-14-15;1-2-3-4(5,6)7/h3,6-7,9-12,14,19,21H,1,4-5,8,13H2,2H3;2H,1,3H2
InChIKeyXGHVFQNKXZFKII-UHFFFAOYSA-N
MW447.50 g/mol
LogP5.88
Rot. Bonds9

About 3-(hex-5-enylamino)-1-(6-methoxy-3-pyridinyl)-3H-indol-2-one;4,4,4-trifluorobut-1-ene

3-(hex-5-enylamino)-1-(6-methoxy-3-pyridinyl)-3H-indol-2-one;4,4,4-trifluorobut-1-ene (PubChem CID 142861763) has the molecular formula C24H28F3N3O2 and a molecular weight of 447.50 g/mol. Its IUPAC name is 3-(hex-5-enylamino)-1-(6-methoxy-3-pyridinyl)-3H-indol-2-one;4,4,4-trifluorobut-1-ene.

Molecular Properties

Compound Name3-(hex-5-enylamino)-1-(6-methoxy-3-pyridinyl)-3H-indol-2-one;4,4,4-trifluorobut-1-ene
PubChem CID142861763
Molecular FormulaC24H28F3N3O2
Molecular Weight447.50 g/mol
Exact Mass447.21
IUPAC Name3-(hex-5-enylamino)-1-(6-methoxy-3-pyridinyl)-3H-indol-2-one;4,4,4-trifluorobut-1-ene
SMILESC=CCC(F)(F)F.C=CCCCCNC1C(=O)N(c2ccc(OC)nc2)c2ccccc21
InChIInChI=1S/C20H23N3O2.C4H5F3/c1-3-4-5-8-13-21-19-16-9-6-7-10-17(16)23(20(19)24)15-11-12-18(25-2)22-14-15;1-2-3-4(5,6)7/h3,6-7,9-12,14,19,21H,1,4-5,8,13H2,2H3;2H,1,3H2
InChIKeyXGHVFQNKXZFKII-UHFFFAOYSA-N
XLogP5.88
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.50
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(hex-5-enylamino)-1-(6-methoxy-3-pyridinyl)-3H-indol-2-one;4,4,4-trifluorobut-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(hex-5-enylamino)-1-(6-methoxy-3-pyridinyl)-3H-indol-2-one;4,4,4-trifluorobut-1-ene?
The IUPAC name of 3-(hex-5-enylamino)-1-(6-methoxy-3-pyridinyl)-3H-indol-2-one;4,4,4-trifluorobut-1-ene (CID 142861763) is 3-(hex-5-enylamino)-1-(6-methoxy-3-pyridinyl)-3H-indol-2-one;4,4,4-trifluorobut-1-ene.
What is the SMILES notation for 3-(hex-5-enylamino)-1-(6-methoxy-3-pyridinyl)-3H-indol-2-one;4,4,4-trifluorobut-1-ene?
The canonical SMILES for 3-(hex-5-enylamino)-1-(6-methoxy-3-pyridinyl)-3H-indol-2-one;4,4,4-trifluorobut-1-ene is C=CCC(F)(F)F.C=CCCCCNC1C(=O)N(c2ccc(OC)nc2)c2ccccc21.
What is the InChIKey of 3-(hex-5-enylamino)-1-(6-methoxy-3-pyridinyl)-3H-indol-2-one;4,4,4-trifluorobut-1-ene?
The InChIKey is XGHVFQNKXZFKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2.C4H5F3/c1-3-4-5-8-13-21-19-16-9-6-7-10-17(16)23(20(19)24)15-11-12-18(25-2)22-14-15;1-2-3-4(5,6)7/h3,6-7,9-12,14,19,21H,1,4-5,8,13H2,2H3;2H,1,3H2.
What are the key properties of 3-(hex-5-enylamino)-1-(6-methoxy-3-pyridinyl)-3H-indol-2-one;4,4,4-trifluorobut-1-ene?
3-(hex-5-enylamino)-1-(6-methoxy-3-pyridinyl)-3H-indol-2-one;4,4,4-trifluorobut-1-ene has a molecular weight of 447.50 g/mol, XLogP of 5.88, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hex-5-enylamino)-1-(6-methoxy-3-pyridinyl)-3H-indol-2-one;4,4,4-trifluorobut-1-ene is sourced from PubChem (CID 142861763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).