3-ethenyl-5-(3-ethenylazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridine

C14H15N3 — CID 153394403

IUPAC3-ethenyl-5-(3-ethenylazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESC=Cc1c[nH]c2ncc(N3CC(C=C)C3)cc12
InChIInChI=1S/C14H15N3/c1-3-10-8-17(9-10)12-5-13-11(4-2)6-15-14(13)16-7-12/h3-7,10H,1-2,8-9H2,(H,15,16)
InChIKeyQSJWCVRMPGJXKV-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.83
Rot. Bonds3

About 3-ethenyl-5-(3-ethenylazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridine

3-ethenyl-5-(3-ethenylazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 153394403) has the molecular formula C14H15N3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-ethenyl-5-(3-ethenylazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-ethenyl-5-(3-ethenylazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID153394403
Molecular FormulaC14H15N3
Molecular Weight225.29 g/mol
Exact Mass225.13
IUPAC Name3-ethenyl-5-(3-ethenylazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESC=Cc1c[nH]c2ncc(N3CC(C=C)C3)cc12
InChIInChI=1S/C14H15N3/c1-3-10-8-17(9-10)12-5-13-11(4-2)6-15-14(13)16-7-12/h3-7,10H,1-2,8-9H2,(H,15,16)
InChIKeyQSJWCVRMPGJXKV-UHFFFAOYSA-N
XLogP2.83
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-(4-chlorophenyl)-3-ethenyl-1H-pyrrolo[2,3-b]pyridine
CID 166842378
3-ethenyl-5-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 166900073
N-[1-[3-[(E)-3-amino-3-oxoprop-1-enyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]azetidin-3-yl]benzamide
CID 118265385
(E)-4-[5-[4-[(2R)-2-hydroxypropanoyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one
CID 122705642
tert-butyl 2-[1-[3-[(E)-3-oxobut-1-enyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]azetidin-3-yl]acetate
CID 161017486
N-methyl-N-[1-(3-pyrazin-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)azetidin-3-yl]prop-2-enamide
CID 122421765
(E)-3-[5-[4-(3-hydroxybutanoyl)piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide
CID 118267975
1-[1-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]azetidin-3-yl]but-3-en-2-one
CID 148596599
3-fluoropropyl 4-[3-[(E)-3-amino-3-oxoprop-1-enyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]piperazine-1-carboxylate
CID 118267505
N-methyl-N-[1-[3-(6-oxo-1H-pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]azetidin-3-yl]prop-2-enamide
CID 122421882
(E)-3-[5-[4-[(1R,3S)-3-methylcyclopentanecarbonyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide
CID 122705577
2-methyl-4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine
CID 129162842

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-5-(3-ethenylazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-ethenyl-5-(3-ethenylazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridine (CID 153394403) is 3-ethenyl-5-(3-ethenylazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-ethenyl-5-(3-ethenylazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-ethenyl-5-(3-ethenylazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridine is C=Cc1c[nH]c2ncc(N3CC(C=C)C3)cc12.
What is the InChIKey of 3-ethenyl-5-(3-ethenylazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is QSJWCVRMPGJXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-3-10-8-17(9-10)12-5-13-11(4-2)6-15-14(13)16-7-12/h3-7,10H,1-2,8-9H2,(H,15,16).
What are the key properties of 3-ethenyl-5-(3-ethenylazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridine?
3-ethenyl-5-(3-ethenylazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 225.29 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-5-(3-ethenylazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 153394403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).