5-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-2H-isoquinolin-1-one

C17H15N3O — CID 151021883

IUPAC5-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-2H-isoquinolin-1-one
SMILESCc1c(-c2cnc3[nH]ccc3c2)ccc2c1CCNC2=O
InChIInChI=1S/C17H15N3O/c1-10-13(2-3-15-14(10)5-7-19-17(15)21)12-8-11-4-6-18-16(11)20-9-12/h2-4,6,8-9H,5,7H2,1H3,(H,18,20)(H,19,21)
InChIKeyLYFUXNHZMYVIPT-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.82
Rot. Bonds1

About 5-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-2H-isoquinolin-1-one

5-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-2H-isoquinolin-1-one (PubChem CID 151021883) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 5-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name5-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-2H-isoquinolin-1-one
PubChem CID151021883
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name5-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-2H-isoquinolin-1-one
SMILESCc1c(-c2cnc3[nH]ccc3c2)ccc2c1CCNC2=O
InChIInChI=1S/C17H15N3O/c1-10-13(2-3-15-14(10)5-7-19-17(15)21)12-8-11-4-6-18-16(11)20-9-12/h2-4,6,8-9H,5,7H2,1H3,(H,18,20)(H,19,21)
InChIKeyLYFUXNHZMYVIPT-UHFFFAOYSA-N
XLogP2.82
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-2H-isoquinolin-1-one?
The IUPAC name of 5-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-2H-isoquinolin-1-one (CID 151021883) is 5-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for 5-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for 5-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-2H-isoquinolin-1-one is Cc1c(-c2cnc3[nH]ccc3c2)ccc2c1CCNC2=O.
What is the InChIKey of 5-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-2H-isoquinolin-1-one?
The InChIKey is LYFUXNHZMYVIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-10-13(2-3-15-14(10)5-7-19-17(15)21)12-8-11-4-6-18-16(11)20-9-12/h2-4,6,8-9H,5,7H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 5-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-2H-isoquinolin-1-one?
5-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-2H-isoquinolin-1-one has a molecular weight of 277.33 g/mol, XLogP of 2.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 151021883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).