3-(pyridin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine

C22H23N3O3 — CID 141267710

IUPAC3-(pyridin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cc(-c2cnc3c(c2)C(Cc2ccncc2)CN3)cc(OC)c1OC
InChIInChI=1S/C22H23N3O3/c1-26-19-10-15(11-20(27-2)21(19)28-3)16-9-18-17(13-25-22(18)24-12-16)8-14-4-6-23-7-5-14/h4-7,9-12,17H,8,13H2,1-3H3,(H,24,25)
InChIKeyLPNIEUBAPFFVHQ-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.92
Rot. Bonds6

About 3-(pyridin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine

3-(pyridin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 141267710) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 3-(pyridin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(pyridin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID141267710
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name3-(pyridin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cc(-c2cnc3c(c2)C(Cc2ccncc2)CN3)cc(OC)c1OC
InChIInChI=1S/C22H23N3O3/c1-26-19-10-15(11-20(27-2)21(19)28-3)16-9-18-17(13-25-22(18)24-12-16)8-14-4-6-23-7-5-14/h4-7,9-12,17H,8,13H2,1-3H3,(H,24,25)
InChIKeyLPNIEUBAPFFVHQ-UHFFFAOYSA-N
XLogP3.92
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(pyridin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

3,3-dimethyl-5-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrrolo[2,3-b]pyridine
CID 141325156
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1-pyridin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine chloride
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4-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]pyridine
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1-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 134698022
3-bromo-5-(3,4,5-trimethoxyphenyl)pyridine
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4-[2-[4-(chloromethyl)-2,6-dimethoxyphenoxy]ethyl]pyridine
CID 60891318
3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine
CID 126672991
pyridin-4-ylmethanol;3,4,5-trimethoxybenzoic acid;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(pyridin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine (CID 141267710) is 3-(pyridin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(pyridin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(pyridin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine is COc1cc(-c2cnc3c(c2)C(Cc2ccncc2)CN3)cc(OC)c1OC.
What is the InChIKey of 3-(pyridin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is LPNIEUBAPFFVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-26-19-10-15(11-20(27-2)21(19)28-3)16-9-18-17(13-25-22(18)24-12-16)8-14-4-6-23-7-5-14/h4-7,9-12,17H,8,13H2,1-3H3,(H,24,25).
What are the key properties of 3-(pyridin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
3-(pyridin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 377.44 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 141267710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).