3-methyl-1-(pyridin-2-ylmethyl)-9H-pyrazolo[5,4-b]quinolin-4-one

C17H14N4O — CID 135848128

IUPAC3-methyl-1-(pyridin-2-ylmethyl)-9H-pyrazolo[5,4-b]quinolin-4-one
SMILESCc1nn(Cc2ccccn2)c2[nH]c3ccccc3c(=O)c12
InChIInChI=1S/C17H14N4O/c1-11-15-16(22)13-7-2-3-8-14(13)19-17(15)21(20-11)10-12-6-4-5-9-18-12/h2-9H,10H2,1H3,(H,19,22)
InChIKeyXOBACCAENOORNR-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.63
Rot. Bonds2

About 3-methyl-1-(pyridin-2-ylmethyl)-9H-pyrazolo[5,4-b]quinolin-4-one

3-methyl-1-(pyridin-2-ylmethyl)-9H-pyrazolo[5,4-b]quinolin-4-one (PubChem CID 135848128) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 3-methyl-1-(pyridin-2-ylmethyl)-9H-pyrazolo[5,4-b]quinolin-4-one.

Molecular Properties

Compound Name3-methyl-1-(pyridin-2-ylmethyl)-9H-pyrazolo[5,4-b]quinolin-4-one
PubChem CID135848128
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name3-methyl-1-(pyridin-2-ylmethyl)-9H-pyrazolo[5,4-b]quinolin-4-one
SMILESCc1nn(Cc2ccccn2)c2[nH]c3ccccc3c(=O)c12
InChIInChI=1S/C17H14N4O/c1-11-15-16(22)13-7-2-3-8-14(13)19-17(15)21(20-11)10-12-6-4-5-9-18-12/h2-9H,10H2,1H3,(H,19,22)
InChIKeyXOBACCAENOORNR-UHFFFAOYSA-N
XLogP2.63
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyridazin-7-one
CID 166400154
6-fluoro-3-methyl-1-pyridin-2-yl-9H-pyrazolo[5,4-b]quinolin-4-one
CID 135537136
N,N,3-trimethyl-1-(pyridin-2-ylmethyl)pyrazolo[3,4-b]quinolin-4-amine
CID 22320313
1-benzyl-6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
CID 137303582
4-methyl-1-phenyl-6-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyridazin-7-one
CID 16846184
4-oxo-1-pyridin-2-yl-9H-pyrazolo[5,4-b]quinoline-3-carboxylic acid
CID 135848103
1-(4-fluorophenyl)-4-methyl-6-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyridazin-7-one
CID 16846457
4-cyclopropyl-5-methyl-2-(pyridin-2-ylmethyl)-1,2,4-triazol-3-one
CID 126953671
2-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine
CID 12988154
2-(pyridin-2-ylmethyl)-1,2,4-triazine-3,5-dione
CID 71390982
3-amino-6-hydroxy-2-(pyridin-2-ylmethyl)-5H-pyrazolo[4,3-c]pyridin-4-one
CID 136506414
6-methyl-3-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one
CID 84592320

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(pyridin-2-ylmethyl)-9H-pyrazolo[5,4-b]quinolin-4-one?
The IUPAC name of 3-methyl-1-(pyridin-2-ylmethyl)-9H-pyrazolo[5,4-b]quinolin-4-one (CID 135848128) is 3-methyl-1-(pyridin-2-ylmethyl)-9H-pyrazolo[5,4-b]quinolin-4-one.
What is the SMILES notation for 3-methyl-1-(pyridin-2-ylmethyl)-9H-pyrazolo[5,4-b]quinolin-4-one?
The canonical SMILES for 3-methyl-1-(pyridin-2-ylmethyl)-9H-pyrazolo[5,4-b]quinolin-4-one is Cc1nn(Cc2ccccn2)c2[nH]c3ccccc3c(=O)c12.
What is the InChIKey of 3-methyl-1-(pyridin-2-ylmethyl)-9H-pyrazolo[5,4-b]quinolin-4-one?
The InChIKey is XOBACCAENOORNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c1-11-15-16(22)13-7-2-3-8-14(13)19-17(15)21(20-11)10-12-6-4-5-9-18-12/h2-9H,10H2,1H3,(H,19,22).
What are the key properties of 3-methyl-1-(pyridin-2-ylmethyl)-9H-pyrazolo[5,4-b]quinolin-4-one?
3-methyl-1-(pyridin-2-ylmethyl)-9H-pyrazolo[5,4-b]quinolin-4-one has a molecular weight of 290.33 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(pyridin-2-ylmethyl)-9H-pyrazolo[5,4-b]quinolin-4-one is sourced from PubChem (CID 135848128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).