3-methyl-4-(6-methylquinolin-5-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

C17H16N4O — CID 171912073

IUPAC3-methyl-4-(6-methylquinolin-5-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESCc1ccc2ncccc2c1C1CC(=O)Nc2n[nH]c(C)c21
InChIInChI=1S/C17H16N4O/c1-9-5-6-13-11(4-3-7-18-13)15(9)12-8-14(22)19-17-16(12)10(2)20-21-17/h3-7,12H,8H2,1-2H3,(H2,19,20,21,22)
InChIKeyRBEOHFVOQADKMA-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.05
Rot. Bonds1

About 3-methyl-4-(6-methylquinolin-5-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

3-methyl-4-(6-methylquinolin-5-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (PubChem CID 171912073) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-methyl-4-(6-methylquinolin-5-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name3-methyl-4-(6-methylquinolin-5-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
PubChem CID171912073
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name3-methyl-4-(6-methylquinolin-5-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESCc1ccc2ncccc2c1C1CC(=O)Nc2n[nH]c(C)c21
InChIInChI=1S/C17H16N4O/c1-9-5-6-13-11(4-3-7-18-13)15(9)12-8-14(22)19-17-16(12)10(2)20-21-17/h3-7,12H,8H2,1-2H3,(H2,19,20,21,22)
InChIKeyRBEOHFVOQADKMA-UHFFFAOYSA-N
XLogP3.05
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-4-(6-methylquinolin-5-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one with MolForge

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Related Compounds

(4S)-4-(3-methoxy-2-propoxyphenyl)-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 136818131
(4S)-3-methyl-4-[2-[(4-methylphenyl)methoxy]phenyl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 136759770
(4S)-4-[2-[(2-chlorophenyl)methoxy]phenyl]-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 136903259
(4S)-3-methyl-4-(4-propoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 136915644
3-methyl-4-(4-pyrrolidin-1-ylphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 169412868
(4S)-4-(1,5-dimethylpyrazol-4-yl)-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 136699299
4-(3,4-dimethylbenzoyl)-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 135986505
(4R)-4-[4-[(4-chlorophenyl)methoxy]phenyl]-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 136759813
4-[(3R)-3-methylmorpholin-4-yl]-6-(6-methylquinolin-5-yl)piperidin-2-one
CID 162533426
3-methyl-4-[2-(4-piperidin-1-ylbutoxy)phenyl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 171913109
4-(3-methoxy-4-pyrrolidin-1-ylphenyl)-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 171913942
(4R)-4-(3,4-dimethylphenyl)-3-methyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepin-7-one
CID 136818126

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(6-methylquinolin-5-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 3-methyl-4-(6-methylquinolin-5-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (CID 171912073) is 3-methyl-4-(6-methylquinolin-5-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 3-methyl-4-(6-methylquinolin-5-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 3-methyl-4-(6-methylquinolin-5-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is Cc1ccc2ncccc2c1C1CC(=O)Nc2n[nH]c(C)c21.
What is the InChIKey of 3-methyl-4-(6-methylquinolin-5-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The InChIKey is RBEOHFVOQADKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-9-5-6-13-11(4-3-7-18-13)15(9)12-8-14(22)19-17-16(12)10(2)20-21-17/h3-7,12H,8H2,1-2H3,(H2,19,20,21,22).
What are the key properties of 3-methyl-4-(6-methylquinolin-5-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
3-methyl-4-(6-methylquinolin-5-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one has a molecular weight of 292.34 g/mol, XLogP of 3.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(6-methylquinolin-5-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 171912073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).