5-[4-[2-(3-chlorophenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-1H-pyrrolo[2,3-b]pyridine

C21H20ClN3 — CID 67615201

IUPAC5-[4-[2-(3-chlorophenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-1H-pyrrolo[2,3-b]pyridine
SMILESCc1c(N2CC=C(C=Cc3cccc(Cl)c3)CC2)cnc2[nH]ccc12
InChIInChI=1S/C21H20ClN3/c1-15-19-7-10-23-21(19)24-14-20(15)25-11-8-16(9-12-25)5-6-17-3-2-4-18(22)13-17/h2-8,10,13-14H,9,11-12H2,1H3,(H,23,24)
InChIKeyBRZGPLKMVYGEGA-UHFFFAOYSA-N
MW349.87 g/mol
LogP5.37
Rot. Bonds3

About 5-[4-[2-(3-chlorophenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-1H-pyrrolo[2,3-b]pyridine

5-[4-[2-(3-chlorophenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 67615201) has the molecular formula C21H20ClN3 and a molecular weight of 349.87 g/mol. Its IUPAC name is 5-[4-[2-(3-chlorophenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-[4-[2-(3-chlorophenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID67615201
Molecular FormulaC21H20ClN3
Molecular Weight349.87 g/mol
Exact Mass349.13
IUPAC Name5-[4-[2-(3-chlorophenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-1H-pyrrolo[2,3-b]pyridine
SMILESCc1c(N2CC=C(C=Cc3cccc(Cl)c3)CC2)cnc2[nH]ccc12
InChIInChI=1S/C21H20ClN3/c1-15-19-7-10-23-21(19)24-14-20(15)25-11-8-16(9-12-25)5-6-17-3-2-4-18(22)13-17/h2-8,10,13-14H,9,11-12H2,1H3,(H,23,24)
InChIKeyBRZGPLKMVYGEGA-UHFFFAOYSA-N
XLogP5.37
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.87
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[4-[2-(3-chlorophenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-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

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(3-chlorophenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-[4-[2-(3-chlorophenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-1H-pyrrolo[2,3-b]pyridine (CID 67615201) is 5-[4-[2-(3-chlorophenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-[4-[2-(3-chlorophenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-[4-[2-(3-chlorophenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-1H-pyrrolo[2,3-b]pyridine is Cc1c(N2CC=C(C=Cc3cccc(Cl)c3)CC2)cnc2[nH]ccc12.
What is the InChIKey of 5-[4-[2-(3-chlorophenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is BRZGPLKMVYGEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3/c1-15-19-7-10-23-21(19)24-14-20(15)25-11-8-16(9-12-25)5-6-17-3-2-4-18(22)13-17/h2-8,10,13-14H,9,11-12H2,1H3,(H,23,24).
What are the key properties of 5-[4-[2-(3-chlorophenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-1H-pyrrolo[2,3-b]pyridine?
5-[4-[2-(3-chlorophenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 349.87 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(3-chlorophenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 67615201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).