1-(azetidin-1-yl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanone

C18H17N3O — CID 175807892

IUPAC1-(azetidin-1-yl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanone
SMILESO=C(Cc1ccc(-c2ccnc3[nH]ccc23)cc1)N1CCC1
InChIInChI=1S/C18H17N3O/c22-17(21-10-1-11-21)12-13-2-4-14(5-3-13)15-6-8-19-18-16(15)7-9-20-18/h2-9H,1,10-12H2,(H,19,20)
InChIKeyLWBYSQIKGSLWOY-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.00
Rot. Bonds3

About 1-(azetidin-1-yl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanone

1-(azetidin-1-yl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanone (PubChem CID 175807892) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-(azetidin-1-yl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanone
PubChem CID175807892
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name1-(azetidin-1-yl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanone
SMILESO=C(Cc1ccc(-c2ccnc3[nH]ccc23)cc1)N1CCC1
InChIInChI=1S/C18H17N3O/c22-17(21-10-1-11-21)12-13-2-4-14(5-3-13)15-6-8-19-18-16(15)7-9-20-18/h2-9H,1,10-12H2,(H,19,20)
InChIKeyLWBYSQIKGSLWOY-UHFFFAOYSA-N
XLogP3.00
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-pyrrolidin-1-yl-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanone
CID 175807639
N-ethyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide
CID 56893507
4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzoic acid
CID 69192349
4-[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 24857728
N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide
CID 11999608
4-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 57482994
1-ethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]urea
CID 175807775
2-(4-fluorophenyl)-1-[4-[2-(4-fluorophenyl)acetyl]-1,4-diazepan-1-yl]ethanone
CID 110798689
1-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidin-4-ol
CID 170449570
N-[4-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]pyrrolidine-1-carboxamide
CID 58980061
tert-butyl 4-hydroxy-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidine-1-carboxylate
CID 170437281
N-[4-[4-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 138560723

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanone?
The IUPAC name of 1-(azetidin-1-yl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanone (CID 175807892) is 1-(azetidin-1-yl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanone.
What is the SMILES notation for 1-(azetidin-1-yl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanone?
The canonical SMILES for 1-(azetidin-1-yl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanone is O=C(Cc1ccc(-c2ccnc3[nH]ccc23)cc1)N1CCC1.
What is the InChIKey of 1-(azetidin-1-yl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanone?
The InChIKey is LWBYSQIKGSLWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c22-17(21-10-1-11-21)12-13-2-4-14(5-3-13)15-6-8-19-18-16(15)7-9-20-18/h2-9H,1,10-12H2,(H,19,20).
What are the key properties of 1-(azetidin-1-yl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanone?
1-(azetidin-1-yl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanone has a molecular weight of 291.35 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanone is sourced from PubChem (CID 175807892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).