3-(3,5-difluorophenyl)-4-[2-(4-methylpiperidin-4-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine

C21H23F2N3 — CID 153397598

IUPAC3-(3,5-difluorophenyl)-4-[2-(4-methylpiperidin-4-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCC1(CCc2ccnc3[nH]cc(-c4cc(F)cc(F)c4)c23)CCNCC1
InChIInChI=1S/C21H23F2N3/c1-21(5-8-24-9-6-21)4-2-14-3-7-25-20-19(14)18(13-26-20)15-10-16(22)12-17(23)11-15/h3,7,10-13,24H,2,4-6,8-9H2,1H3,(H,25,26)
InChIKeyDTYRJKVSKPNTPW-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.83
Rot. Bonds4

About 3-(3,5-difluorophenyl)-4-[2-(4-methylpiperidin-4-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine

3-(3,5-difluorophenyl)-4-[2-(4-methylpiperidin-4-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 153397598) has the molecular formula C21H23F2N3 and a molecular weight of 355.43 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-4-[2-(4-methylpiperidin-4-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-4-[2-(4-methylpiperidin-4-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID153397598
Molecular FormulaC21H23F2N3
Molecular Weight355.43 g/mol
Exact Mass355.19
IUPAC Name3-(3,5-difluorophenyl)-4-[2-(4-methylpiperidin-4-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCC1(CCc2ccnc3[nH]cc(-c4cc(F)cc(F)c4)c23)CCNCC1
InChIInChI=1S/C21H23F2N3/c1-21(5-8-24-9-6-21)4-2-14-3-7-25-20-19(14)18(13-26-20)15-10-16(22)12-17(23)11-15/h3,7,10-13,24H,2,4-6,8-9H2,1H3,(H,25,26)
InChIKeyDTYRJKVSKPNTPW-UHFFFAOYSA-N
XLogP4.83
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(3,5-difluorophenyl)-4-[2-(4-methylpiperidin-4-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

3-(3-fluoro-5-propan-2-yloxyphenyl)-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine
CID 146333366
3-(3,5-difluorophenyl)-5-methyl-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine
CID 146333363
3-(2,4-difluorophenyl)-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine
CID 146333330
3-(4-ethyl-3-fluorophenyl)-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine;thiohydroxylamine
CID 153397621
2-methyl-4-[4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile
CID 146333347
N-[[3-[4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methyl]acetamide
CID 146333328
methanol;1-[4-[4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]-N-methylsulfanylethanamine
CID 153397533
4-[2-chloro-4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidin-4-ol
CID 170437249
[4-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-fluorophenyl)methanone
CID 11348729
[4-[3-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]methanamine
CID 170449805
4-[(4-methylpiperidin-4-yl)methoxy]-3-(1-methylsulfanylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 153397459
[(5R)-2-[4-[[3-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3,5-difluoroanilino]-5-fluoro-4,6-dihydro-1,3-oxazin-5-yl]methanol
CID 175772998

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-4-[2-(4-methylpiperidin-4-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(3,5-difluorophenyl)-4-[2-(4-methylpiperidin-4-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine (CID 153397598) is 3-(3,5-difluorophenyl)-4-[2-(4-methylpiperidin-4-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(3,5-difluorophenyl)-4-[2-(4-methylpiperidin-4-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(3,5-difluorophenyl)-4-[2-(4-methylpiperidin-4-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine is CC1(CCc2ccnc3[nH]cc(-c4cc(F)cc(F)c4)c23)CCNCC1.
What is the InChIKey of 3-(3,5-difluorophenyl)-4-[2-(4-methylpiperidin-4-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is DTYRJKVSKPNTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3/c1-21(5-8-24-9-6-21)4-2-14-3-7-25-20-19(14)18(13-26-20)15-10-16(22)12-17(23)11-15/h3,7,10-13,24H,2,4-6,8-9H2,1H3,(H,25,26).
What are the key properties of 3-(3,5-difluorophenyl)-4-[2-(4-methylpiperidin-4-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine?
3-(3,5-difluorophenyl)-4-[2-(4-methylpiperidin-4-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 355.43 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-4-[2-(4-methylpiperidin-4-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 153397598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).