1-methyl-3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carbonyl)-3,4-dihydroquinolin-2-one

C17H18N4O2 — CID 166277947

IUPAC1-methyl-3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carbonyl)-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)C(C(=O)N2CCCc3[nH]ncc32)Cc2ccccc21
InChIInChI=1S/C17H18N4O2/c1-20-14-7-3-2-5-11(14)9-12(16(20)22)17(23)21-8-4-6-13-15(21)10-18-19-13/h2-3,5,7,10,12H,4,6,8-9H2,1H3,(H,18,19)
InChIKeyQADSLDIYCLEKJM-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.52
Rot. Bonds1

About 1-methyl-3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carbonyl)-3,4-dihydroquinolin-2-one

1-methyl-3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carbonyl)-3,4-dihydroquinolin-2-one (PubChem CID 166277947) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-methyl-3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carbonyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carbonyl)-3,4-dihydroquinolin-2-one
PubChem CID166277947
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name1-methyl-3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carbonyl)-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)C(C(=O)N2CCCc3[nH]ncc32)Cc2ccccc21
InChIInChI=1S/C17H18N4O2/c1-20-14-7-3-2-5-11(14)9-12(16(20)22)17(23)21-8-4-6-13-15(21)10-18-19-13/h2-3,5,7,10,12H,4,6,8-9H2,1H3,(H,18,19)
InChIKeyQADSLDIYCLEKJM-UHFFFAOYSA-N
XLogP1.52
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carbonyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-methyl-3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carbonyl)-3,4-dihydroquinolin-2-one (CID 166277947) is 1-methyl-3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carbonyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-methyl-3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carbonyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-methyl-3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carbonyl)-3,4-dihydroquinolin-2-one is CN1C(=O)C(C(=O)N2CCCc3[nH]ncc32)Cc2ccccc21.
What is the InChIKey of 1-methyl-3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carbonyl)-3,4-dihydroquinolin-2-one?
The InChIKey is QADSLDIYCLEKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-20-14-7-3-2-5-11(14)9-12(16(20)22)17(23)21-8-4-6-13-15(21)10-18-19-13/h2-3,5,7,10,12H,4,6,8-9H2,1H3,(H,18,19).
What are the key properties of 1-methyl-3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carbonyl)-3,4-dihydroquinolin-2-one?
1-methyl-3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carbonyl)-3,4-dihydroquinolin-2-one has a molecular weight of 310.36 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carbonyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 166277947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).