3,3-dimethyl-5-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrrolo[2,3-b]pyridine

C18H22N2O3 — CID 141325156

IUPAC3,3-dimethyl-5-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrrolo[2,3-b]pyridine
SMILESCOc1cc(-c2cnc3c(c2)C(C)(C)CN3)cc(OC)c1OC
InChIInChI=1S/C18H22N2O3/c1-18(2)10-20-17-13(18)6-12(9-19-17)11-7-14(21-3)16(23-5)15(8-11)22-4/h6-9H,10H2,1-5H3,(H,19,20)
InChIKeySIEXDMTXUKJPFA-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.48
Rot. Bonds4

About 3,3-dimethyl-5-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrrolo[2,3-b]pyridine

3,3-dimethyl-5-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrrolo[2,3-b]pyridine (PubChem CID 141325156) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3,3-dimethyl-5-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3,3-dimethyl-5-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrrolo[2,3-b]pyridine
PubChem CID141325156
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name3,3-dimethyl-5-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrrolo[2,3-b]pyridine
SMILESCOc1cc(-c2cnc3c(c2)C(C)(C)CN3)cc(OC)c1OC
InChIInChI=1S/C18H22N2O3/c1-18(2)10-20-17-13(18)6-12(9-19-17)11-7-14(21-3)16(23-5)15(8-11)22-4/h6-9H,10H2,1-5H3,(H,19,20)
InChIKeySIEXDMTXUKJPFA-UHFFFAOYSA-N
XLogP3.48
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(pyridin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 141267710
(3E)-3-(pyridin-3-ylmethylidene)-5-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-one
CID 66779255
5-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)pyridine
CID 90670581
3-(3,4,5-trimethoxyphenyl)pyridine
CID 141070241
3-bromo-5-(3,4,5-trimethoxyphenyl)pyridine
CID 141375557
7-pyridin-4-yl-3-(3,4,5-trimethoxyphenyl)quinoline
CID 162674614
2-chloro-4-(3,4,5-trimethoxyphenyl)pyridine
CID 18674967
3-[(Z)-[2-oxo-5-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-ylidene]methyl]benzamide
CID 46235884
3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1,2-dihydroindole
CID 154002561
2-(3,4,5-trimethoxyphenyl)-1H-imidazole-5-carbaldehyde
CID 95468133
N-methyl-1-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]oxymethyl]cyclopropan-1-amine
CID 68530219
5-(4-fluorophenyl)-1,2,3-trimethoxybenzene
CID 45156545

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrrolo[2,3-b]pyridine?
The IUPAC name of 3,3-dimethyl-5-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrrolo[2,3-b]pyridine (CID 141325156) is 3,3-dimethyl-5-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3,3-dimethyl-5-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrrolo[2,3-b]pyridine?
The canonical SMILES for 3,3-dimethyl-5-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrrolo[2,3-b]pyridine is COc1cc(-c2cnc3c(c2)C(C)(C)CN3)cc(OC)c1OC.
What is the InChIKey of 3,3-dimethyl-5-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrrolo[2,3-b]pyridine?
The InChIKey is SIEXDMTXUKJPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-18(2)10-20-17-13(18)6-12(9-19-17)11-7-14(21-3)16(23-5)15(8-11)22-4/h6-9H,10H2,1-5H3,(H,19,20).
What are the key properties of 3,3-dimethyl-5-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrrolo[2,3-b]pyridine?
3,3-dimethyl-5-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrrolo[2,3-b]pyridine has a molecular weight of 314.39 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrrolo[2,3-b]pyridine is sourced from PubChem (CID 141325156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).