3-[[6-[2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine

C21H17F2N3 — CID 58442263

IUPAC3-[[6-[2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESFc1cc(F)cc(CCc2ccc(Cc3c[nH]c4ncccc34)cn2)c1
InChIInChI=1S/C21H17F2N3/c22-17-9-14(10-18(23)11-17)3-5-19-6-4-15(12-25-19)8-16-13-26-21-20(16)2-1-7-24-21/h1-2,4,6-7,9-13H,3,5,8H2,(H,24,26)
InChIKeyZXWFDHVQGVNQJJ-UHFFFAOYSA-N
MW349.38 g/mol
LogP4.61
Rot. Bonds5

About 3-[[6-[2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine

3-[[6-[2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 58442263) has the molecular formula C21H17F2N3 and a molecular weight of 349.38 g/mol. Its IUPAC name is 3-[[6-[2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[[6-[2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID58442263
Molecular FormulaC21H17F2N3
Molecular Weight349.38 g/mol
Exact Mass349.14
IUPAC Name3-[[6-[2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESFc1cc(F)cc(CCc2ccc(Cc3c[nH]c4ncccc34)cn2)c1
InChIInChI=1S/C21H17F2N3/c22-17-9-14(10-18(23)11-17)3-5-19-6-4-15(12-25-19)8-16-13-26-21-20(16)2-1-7-24-21/h1-2,4,6-7,9-13H,3,5,8H2,(H,24,26)
InChIKeyZXWFDHVQGVNQJJ-UHFFFAOYSA-N
XLogP4.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[[6-[2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]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

Related Compounds

3-[[6-[2-(2-fluoro-6-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58442097
3-[[6-[2-(2-chloro-4-methylsulfonylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58442205
1-(3,4-dichlorophenyl)-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethanone
CID 58442266
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 12037446
4-ethynyl-3-[[6-[2-(5-fluoro-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58259259
N-(2-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine
CID 25151533
3-[[6-[2-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine
CID 58258906
5-chloro-3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58338437
N-methyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]pyrimidin-5-amine
CID 66971142
N-[(2-chloro-4-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrimidin-2-amine
CID 25024887
3-[[6-[2-(6-bromo-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-5-chloro-1H-pyrrolo[2,3-b]pyridine
CID 58259158
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 59362788

Frequently Asked Questions

What is the IUPAC name of 3-[[6-[2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[[6-[2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine (CID 58442263) is 3-[[6-[2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[[6-[2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[[6-[2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine is Fc1cc(F)cc(CCc2ccc(Cc3c[nH]c4ncccc34)cn2)c1.
What is the InChIKey of 3-[[6-[2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is ZXWFDHVQGVNQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3/c22-17-9-14(10-18(23)11-17)3-5-19-6-4-15(12-25-19)8-16-13-26-21-20(16)2-1-7-24-21/h1-2,4,6-7,9-13H,3,5,8H2,(H,24,26).
What are the key properties of 3-[[6-[2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine?
3-[[6-[2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 349.38 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 58442263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).