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

C22H20F3N3O2 — CID 151568996

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

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Related Compounds

4-[3-(trifluoromethoxy)phenyl]pyridine
CID 46317167
4-pyridin-4-yl-3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-5-amine
CID 69060257
3,5-bis[3-(trifluoromethoxy)phenyl]pyridine
CID 134623402
5-pyridin-4-yl-1-[3-(trifluoromethoxy)phenyl]triazole-4-carboxylic acid
CID 53193015
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
5,5-dimethyl-3-[3-(trifluoromethoxy)phenyl]cyclohex-2-en-1-ol
CID 65176983
(4S)-4-methyl-4-(pyrimidin-5-ylmethyl)-6-[3-(trifluoromethoxy)phenyl]-1,2-dihydroisoquinolin-3-one
CID 124565964
4-methyl-4-(pyrimidin-5-ylmethyl)-6-[3-(trifluoromethoxy)phenyl]-1,2-dihydroisoquinolin-3-one
CID 46175960
2-methyl-4-[3-(trifluoromethoxy)phenyl]imidazole-1,5-diamine
CID 107105132
2-methyl-2-(3-pyridin-4-ylphenoxy)propanoic acid
CID 117051555
3-[4-fluoro-3-(trifluoromethoxy)anilino]-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one
CID 118607160
3-fluoro-5-[3-(trifluoromethoxy)phenyl]pyridine
CID 133089266

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).