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

C22H20FN3 — CID 58442097

IUPAC3-[[6-[2-(2-fluoro-6-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cccc(F)c1CCc1ccc(Cc2c[nH]c3ncccc23)cn1
InChIInChI=1S/C22H20FN3/c1-15-4-2-6-21(23)19(15)10-9-18-8-7-16(13-25-18)12-17-14-26-22-20(17)5-3-11-24-22/h2-8,11,13-14H,9-10,12H2,1H3,(H,24,26)
InChIKeyUAZIHKOLCPLVNR-UHFFFAOYSA-N
MW345.42 g/mol
LogP4.78
Rot. Bonds5

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

3-[[6-[2-(2-fluoro-6-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 58442097) has the molecular formula C22H20FN3 and a molecular weight of 345.42 g/mol. Its IUPAC name is 3-[[6-[2-(2-fluoro-6-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[[6-[2-(2-fluoro-6-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID58442097
Molecular FormulaC22H20FN3
Molecular Weight345.42 g/mol
Exact Mass345.16
IUPAC Name3-[[6-[2-(2-fluoro-6-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cccc(F)c1CCc1ccc(Cc2c[nH]c3ncccc23)cn1
InChIInChI=1S/C22H20FN3/c1-15-4-2-6-21(23)19(15)10-9-18-8-7-16(13-25-18)12-17-14-26-22-20(17)5-3-11-24-22/h2-8,11,13-14H,9-10,12H2,1H3,(H,24,26)
InChIKeyUAZIHKOLCPLVNR-UHFFFAOYSA-N
XLogP4.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[6-[2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58442263
3-[[6-[2-(2-chloro-4-methylsulfonylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58442205
3-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58086816
3-[[2-[2-(4-methyl-3-pyridinyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58259318
3-[[6-[2-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine
CID 58258906
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 12037446
N-methyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]pyrimidin-5-amine
CID 66971142
N-(2-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine
CID 25151533
1-(3,4-dichlorophenyl)-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethanone
CID 58442266
5-chloro-3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58338437
3-[[2-[2-(5-fluoro-2-methoxy-4-pyridinyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58259367
3-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58442061

Frequently Asked Questions

What is the IUPAC name of 3-[[6-[2-(2-fluoro-6-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[[6-[2-(2-fluoro-6-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine (CID 58442097) is 3-[[6-[2-(2-fluoro-6-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[[6-[2-(2-fluoro-6-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[[6-[2-(2-fluoro-6-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine is Cc1cccc(F)c1CCc1ccc(Cc2c[nH]c3ncccc23)cn1.
What is the InChIKey of 3-[[6-[2-(2-fluoro-6-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is UAZIHKOLCPLVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3/c1-15-4-2-6-21(23)19(15)10-9-18-8-7-16(13-25-18)12-17-14-26-22-20(17)5-3-11-24-22/h2-8,11,13-14H,9-10,12H2,1H3,(H,24,26).
What are the key properties of 3-[[6-[2-(2-fluoro-6-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine?
3-[[6-[2-(2-fluoro-6-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 345.42 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[2-(2-fluoro-6-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 58442097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).