6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3,4-dihydro-2H-isoquinolin-1-one

C16H13N3O — CID 170449822

IUPAC6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3,4-dihydro-2H-isoquinolin-1-one
SMILESO=C1NCCc2cc(-c3ccnc4[nH]ccc34)ccc21
InChIInChI=1S/C16H13N3O/c20-16-13-2-1-10(9-11(13)3-6-19-16)12-4-7-17-15-14(12)5-8-18-15/h1-2,4-5,7-9H,3,6H2,(H,17,18)(H,19,20)
InChIKeyQLQZQFSDNICUAQ-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.52
Rot. Bonds1

About 6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3,4-dihydro-2H-isoquinolin-1-one

6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3,4-dihydro-2H-isoquinolin-1-one (PubChem CID 170449822) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3,4-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3,4-dihydro-2H-isoquinolin-1-one
PubChem CID170449822
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3,4-dihydro-2H-isoquinolin-1-one
SMILESO=C1NCCc2cc(-c3ccnc4[nH]ccc34)ccc21
InChIInChI=1S/C16H13N3O/c20-16-13-2-1-10(9-11(13)3-6-19-16)12-4-7-17-15-14(12)5-8-18-15/h1-2,4-5,7-9H,3,6H2,(H,17,18)(H,19,20)
InChIKeyQLQZQFSDNICUAQ-UHFFFAOYSA-N
XLogP2.52
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3,4-dihydro-2H-isoquinolin-1-one with MolForge

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Related Compounds

4-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 57482994
6-(2-amino-5-methyl-3-pyridinyl)-3,4-dihydro-2H-isoquinolin-1-one
CID 134451454
CID 140863842
CID 140863842
6-(3,5-difluorophenyl)-3,4-dihydro-2H-isoquinolin-1-one
CID 70289048
N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide
CID 11999608
6-(2-amino-5-bromo-3-pyridinyl)-3,4-dihydro-2H-isoquinolin-1-one;hydrobromide
CID 70654795
4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzoic acid
CID 69192349
2,2-dimethyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-chromen-4-one
CID 166365244
4-(3-chloro-4-piperidin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 170449646
6-(4-propan-2-ylphenyl)-3,4-dihydro-2H-isoquinolin-1-one
CID 142314640
6-(3-chlorophenyl)-3,4-dihydro-2H-isoquinolin-1-one
CID 70291043
3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
CID 57482985

Frequently Asked Questions

What is the IUPAC name of 6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3,4-dihydro-2H-isoquinolin-1-one?
The IUPAC name of 6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3,4-dihydro-2H-isoquinolin-1-one (CID 170449822) is 6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3,4-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for 6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3,4-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for 6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3,4-dihydro-2H-isoquinolin-1-one is O=C1NCCc2cc(-c3ccnc4[nH]ccc34)ccc21.
What is the InChIKey of 6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3,4-dihydro-2H-isoquinolin-1-one?
The InChIKey is QLQZQFSDNICUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c20-16-13-2-1-10(9-11(13)3-6-19-16)12-4-7-17-15-14(12)5-8-18-15/h1-2,4-5,7-9H,3,6H2,(H,17,18)(H,19,20).
What are the key properties of 6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3,4-dihydro-2H-isoquinolin-1-one?
6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3,4-dihydro-2H-isoquinolin-1-one has a molecular weight of 263.30 g/mol, XLogP of 2.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3,4-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 170449822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).