N-[6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4,5-trimethoxybenzamide

C27H28F3N3O6 — CID 46500732

IUPACN-[6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NC2(C(F)(F)F)C(=O)N(Cc3cccnc3)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC
InChIInChI=1S/C27H28F3N3O6/c1-25(2)11-17-21(18(34)12-25)26(27(28,29)30,24(36)33(17)14-15-7-6-8-31-13-15)32-23(35)16-9-19(37-3)22(39-5)20(10-16)38-4/h6-10,13H,11-12,14H2,1-5H3,(H,32,35)
InChIKeyFSIDBCAGRSOQRH-UHFFFAOYSA-N
MW547.53 g/mol
LogP3.82
Rot. Bonds7

About N-[6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4,5-trimethoxybenzamide

N-[6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4,5-trimethoxybenzamide (PubChem CID 46500732) has the molecular formula C27H28F3N3O6 and a molecular weight of 547.53 g/mol. Its IUPAC name is N-[6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4,5-trimethoxybenzamide
PubChem CID46500732
Molecular FormulaC27H28F3N3O6
Molecular Weight547.53 g/mol
Exact Mass547.19
IUPAC NameN-[6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NC2(C(F)(F)F)C(=O)N(Cc3cccnc3)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC
InChIInChI=1S/C27H28F3N3O6/c1-25(2)11-17-21(18(34)12-25)26(27(28,29)30,24(36)33(17)14-15-7-6-8-31-13-15)32-23(35)16-9-19(37-3)22(39-5)20(10-16)38-4/h6-10,13H,11-12,14H2,1-5H3,(H,32,35)
InChIKeyFSIDBCAGRSOQRH-UHFFFAOYSA-N
XLogP3.82
TPSA107.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.53
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4,5-trimethoxybenzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(3S)-6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide
CID 40783262
N-[(3R)-6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclohexanecarboxamide
CID 42578742
N-[1-[(4-fluorophenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide
CID 46500704
N-[(3R)-1-[(4-fluorophenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide
CID 98153396
N-[1-[(2,3-dimethoxyphenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide
CID 4917329
N-[(3S)-1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide
CID 7588642
N-[(3S)-1-(4-methoxyphenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide
CID 2001159
N-[1-[(2-methoxyphenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]furan-2-carboxamide
CID 5211928
N-[(3R)-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-6,7-dihydro-5H-indol-3-yl]-4-fluorobenzamide
CID 92651791
N-[(3S)-6,6-dimethyl-2,4-dioxo-1-(2-phenylethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-4-carboxamide
CID 42578734
N-[1-[(4-methoxyphenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-4-propan-2-yloxybenzamide
CID 4612713
N-[(3S)-1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-phenylpropanamide
CID 2222331

Frequently Asked Questions

What is the IUPAC name of N-[6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4,5-trimethoxybenzamide (CID 46500732) is N-[6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NC2(C(F)(F)F)C(=O)N(Cc3cccnc3)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC.
What is the InChIKey of N-[6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4,5-trimethoxybenzamide?
The InChIKey is FSIDBCAGRSOQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3N3O6/c1-25(2)11-17-21(18(34)12-25)26(27(28,29)30,24(36)33(17)14-15-7-6-8-31-13-15)32-23(35)16-9-19(37-3)22(39-5)20(10-16)38-4/h6-10,13H,11-12,14H2,1-5H3,(H,32,35).
What are the key properties of N-[6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4,5-trimethoxybenzamide?
N-[6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4,5-trimethoxybenzamide has a molecular weight of 547.53 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 46500732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).