Skip to content

1-amino-6,6-dimethyl-2-pyridin-4-yl-3-[3-(trifluoromethoxy)phenyl]-5,7-dihydroindol-4-one

C22H20F3N3O2 — CID 151568996

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-amino-6,6-dimethyl-2-pyridin-4-yl-3-[3-(trifluoromethoxy)phenyl]-5,7-dihydroindol-4-one
SMILESCC1(C)CC(=O)c2c(-c3cccc(OC(F)(F)F)c3)c(-c3ccncc3)n(N)c2C1
InChIInChI=1S/C22H20F3N3O2/c1-21(2)11-16-19(17(29)12-21)18(20(28(16)26)13-6-8-27-9-7-13)14-4-3-5-15(10-14)30-22(23,24)25/h3-10H,11-12,26H2,1-2H3
InChIKeyQEASUYXFHRCRSC-UHFFFAOYSA-N
MW415.42 g/mol
LogP4.98
Rot. Bonds3

About 1-amino-6,6-dimethyl-2-pyridin-4-yl-3-[3-(trifluoromethoxy)phenyl]-5,7-dihydroindol-4-one

1-amino-6,6-dimethyl-2-pyridin-4-yl-3-[3-(trifluoromethoxy)phenyl]-5,7-dihydroindol-4-one (PubChem CID 151568996) has the molecular formula C22H20F3N3O2 and a molecular weight of 415.42 g/mol. Its IUPAC name is 1-amino-6,6-dimethyl-2-pyridin-4-yl-3-[3-(trifluoromethoxy)phenyl]-5,7-dihydroindol-4-one.

Molecular Properties

Compound Name1-amino-6,6-dimethyl-2-pyridin-4-yl-3-[3-(trifluoromethoxy)phenyl]-5,7-dihydroindol-4-one
PubChem CID151568996
Molecular FormulaC22H20F3N3O2
Molecular Weight415.42 g/mol
Exact Mass415.15
IUPAC Name1-amino-6,6-dimethyl-2-pyridin-4-yl-3-[3-(trifluoromethoxy)phenyl]-5,7-dihydroindol-4-one
SMILESCC1(C)CC(=O)c2c(-c3cccc(OC(F)(F)F)c3)c(-c3ccncc3)n(N)c2C1
InChIInChI=1S/C22H20F3N3O2/c1-21(2)11-16-19(17(29)12-21)18(20(28(16)26)13-6-8-27-9-7-13)14-4-3-5-15(10-14)30-22(23,24)25/h3-10H,11-12,26H2,1-2H3
InChIKeyQEASUYXFHRCRSC-UHFFFAOYSA-N
XLogP4.98
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-amino-6,6-dimethyl-2-pyridin-4-yl-3-[3-(trifluoromethoxy)phenyl]-5,7-dihydroindol-4-one 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 1-amino-6,6-dimethyl-2-pyridin-4-yl-3-[3-(trifluoromethoxy)phenyl]-5,7-dihydroindol-4-one?
The IUPAC name of 1-amino-6,6-dimethyl-2-pyridin-4-yl-3-[3-(trifluoromethoxy)phenyl]-5,7-dihydroindol-4-one (CID 151568996) is 1-amino-6,6-dimethyl-2-pyridin-4-yl-3-[3-(trifluoromethoxy)phenyl]-5,7-dihydroindol-4-one.
What is the SMILES notation for 1-amino-6,6-dimethyl-2-pyridin-4-yl-3-[3-(trifluoromethoxy)phenyl]-5,7-dihydroindol-4-one?
The canonical SMILES for 1-amino-6,6-dimethyl-2-pyridin-4-yl-3-[3-(trifluoromethoxy)phenyl]-5,7-dihydroindol-4-one is CC1(C)CC(=O)c2c(-c3cccc(OC(F)(F)F)c3)c(-c3ccncc3)n(N)c2C1.
What is the InChIKey of 1-amino-6,6-dimethyl-2-pyridin-4-yl-3-[3-(trifluoromethoxy)phenyl]-5,7-dihydroindol-4-one?
The InChIKey is QEASUYXFHRCRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O2/c1-21(2)11-16-19(17(29)12-21)18(20(28(16)26)13-6-8-27-9-7-13)14-4-3-5-15(10-14)30-22(23,24)25/h3-10H,11-12,26H2,1-2H3.
What are the key properties of 1-amino-6,6-dimethyl-2-pyridin-4-yl-3-[3-(trifluoromethoxy)phenyl]-5,7-dihydroindol-4-one?
1-amino-6,6-dimethyl-2-pyridin-4-yl-3-[3-(trifluoromethoxy)phenyl]-5,7-dihydroindol-4-one has a molecular weight of 415.42 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-6,6-dimethyl-2-pyridin-4-yl-3-[3-(trifluoromethoxy)phenyl]-5,7-dihydroindol-4-one is sourced from PubChem (CID 151568996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.