5-(3,4-dimethoxyphenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine

C20H17N3O2 — CID 11953179

IUPAC5-(3,4-dimethoxyphenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)cc1OC
InChIInChI=1S/C20H17N3O2/c1-24-18-4-3-14(10-19(18)25-2)15-9-16-17(12-23-20(16)22-11-15)13-5-7-21-8-6-13/h3-12H,1-2H3,(H,22,23)
InChIKeyMXWHNRXHBNXEFT-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.31
Rot. Bonds4

About 5-(3,4-dimethoxyphenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine

5-(3,4-dimethoxyphenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 11953179) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine
PubChem CID11953179
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name5-(3,4-dimethoxyphenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)cc1OC
InChIInChI=1S/C20H17N3O2/c1-24-18-4-3-14(10-19(18)25-2)15-9-16-17(12-23-20(16)22-11-15)13-5-7-21-8-6-13/h3-12H,1-2H3,(H,22,23)
InChIKeyMXWHNRXHBNXEFT-UHFFFAOYSA-N
XLogP4.31
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(3,4-dimethoxyphenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine 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

Plx-5622
CID 52936034
SIS3 free base
CID 10138988
2-(1,3-benzodioxol-5-yl)-N-(3-pyridinylmethyl)-4-pyrimidinamine
CID 3234998
7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 3641059
Sis3
CID 16079005
6-(3,4-dimethoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538783
6-(4-methoxyphenyl)-7-propyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538784
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 36
CID 6538786
Rwj-68354
CID 9819053
N2-(2-(1H-Pyrrolo[2,3-b]pyridin-3-yl)ethyl)-N4-butyl-N6-(2-methoxyphenethyl)-N4-methyl-1,3,5-triazine-2,4,6-triamine
CID 24767906
5-[5-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-indole
CID 46236221
5-[(5-Methoxy-1h-Pyrrolo[2,3-B]pyridin-3-Yl)methyl]-N-[4-(Trifluoromethyl)benzyl]pyridin-2-Amine
CID 59593266

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine (CID 11953179) is 5-(3,4-dimethoxyphenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine is COc1ccc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is MXWHNRXHBNXEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-24-18-4-3-14(10-19(18)25-2)15-9-16-17(12-23-20(16)22-11-15)13-5-7-21-8-6-13/h3-12H,1-2H3,(H,22,23).
What are the key properties of 5-(3,4-dimethoxyphenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine?
5-(3,4-dimethoxyphenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 331.38 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 11953179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).