7-methyl-5-[2-(oxan-2-yloxymethyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one

C23H22F3N3O3 — CID 122654347

IUPAC7-methyl-5-[2-(oxan-2-yloxymethyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one
SMILESCc1cc(-n2c(COC3CCCCO3)cc3ccc(C(F)(F)F)nc32)cc2c1NC(=O)C2
InChIInChI=1S/C23H22F3N3O3/c1-13-8-16(10-15-11-19(30)28-21(13)15)29-17(12-32-20-4-2-3-7-31-20)9-14-5-6-18(23(24,25)26)27-22(14)29/h5-6,8-10,20H,2-4,7,11-12H2,1H3,(H,28,30)
InChIKeyIKDFHSMSZOJXGU-UHFFFAOYSA-N
MW445.44 g/mol
LogP4.89
Rot. Bonds4

About 7-methyl-5-[2-(oxan-2-yloxymethyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one

7-methyl-5-[2-(oxan-2-yloxymethyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one (PubChem CID 122654347) has the molecular formula C23H22F3N3O3 and a molecular weight of 445.44 g/mol. Its IUPAC name is 7-methyl-5-[2-(oxan-2-yloxymethyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-methyl-5-[2-(oxan-2-yloxymethyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one
PubChem CID122654347
Molecular FormulaC23H22F3N3O3
Molecular Weight445.44 g/mol
Exact Mass445.16
IUPAC Name7-methyl-5-[2-(oxan-2-yloxymethyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one
SMILESCc1cc(-n2c(COC3CCCCO3)cc3ccc(C(F)(F)F)nc32)cc2c1NC(=O)C2
InChIInChI=1S/C23H22F3N3O3/c1-13-8-16(10-15-11-19(30)28-21(13)15)29-17(12-32-20-4-2-3-7-31-20)9-14-5-6-18(23(24,25)26)27-22(14)29/h5-6,8-10,20H,2-4,7,11-12H2,1H3,(H,28,30)
InChIKeyIKDFHSMSZOJXGU-UHFFFAOYSA-N
XLogP4.89
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.44
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-methyl-5-[2-(oxan-2-yloxymethyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one 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

3-[2-(oxan-2-yloxymethyl)-6-(trifluoromethyl)pyridine-3-carbonyl]bicyclo[3.2.1]octane-2,4-dione
CID 91385933
[5-[[(2S)-oxan-2-yl]oxymethyl]-7-oxo-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-2-yl]methyl 4-methylbenzenesulfonate
CID 87253593
1-methyl-5-[[(2R)-oxan-2-yl]oxymethyl]pyrazol-3-amine
CID 124673951
2-[2-[(2S)-oxan-2-yl]oxyethylsulfanyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 137152958
4-methyl-2-(oxan-2-yloxymethyl)benzenethiol
CID 19776911
3-ethyl-1-methyl-5-(oxan-2-yloxymethyl)pyrazole
CID 162435947
4-(oxan-2-yloxymethyl)-3-(trifluoromethyl)aniline
CID 91433320
1-methyl-3-[3-(oxan-2-yloxymethyl)-1,2-benzothiazol-5-yl]-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 57287279
ethane;1-(4-ethylphenyl)-5-(oxan-2-yloxymethyl)triazole
CID 145305024
3-(iodomethyl)-1-methyl-5-(oxan-2-yloxymethyl)pyrazole
CID 166940250
2-[(3-fluorophenyl)methoxy]oxane
CID 22446153
1-[5-[[(2S)-oxan-2-yl]oxymethyl]-1,2-oxazol-3-yl]ethanone
CID 86339553

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-[2-(oxan-2-yloxymethyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 7-methyl-5-[2-(oxan-2-yloxymethyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one (CID 122654347) is 7-methyl-5-[2-(oxan-2-yloxymethyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-methyl-5-[2-(oxan-2-yloxymethyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 7-methyl-5-[2-(oxan-2-yloxymethyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one is Cc1cc(-n2c(COC3CCCCO3)cc3ccc(C(F)(F)F)nc32)cc2c1NC(=O)C2.
What is the InChIKey of 7-methyl-5-[2-(oxan-2-yloxymethyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one?
The InChIKey is IKDFHSMSZOJXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O3/c1-13-8-16(10-15-11-19(30)28-21(13)15)29-17(12-32-20-4-2-3-7-31-20)9-14-5-6-18(23(24,25)26)27-22(14)29/h5-6,8-10,20H,2-4,7,11-12H2,1H3,(H,28,30).
What are the key properties of 7-methyl-5-[2-(oxan-2-yloxymethyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one?
7-methyl-5-[2-(oxan-2-yloxymethyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one has a molecular weight of 445.44 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-[2-(oxan-2-yloxymethyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 122654347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).