ethanol;3-methyl-1-pyridin-2-yl-4-thiophen-3-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-5-one

C22H24N4O2S — CID 2999259

IUPACethanol;3-methyl-1-pyridin-2-yl-4-thiophen-3-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-5-one
SMILESCCO.Cc1nn(-c2ccccn2)c2c1C(c1ccsc1)C1=C(CCCC1=O)N2
InChIInChI=1S/C20H18N4OS.C2H6O/c1-12-17-18(13-8-10-26-11-13)19-14(5-4-6-15(19)25)22-20(17)24(23-12)16-7-2-3-9-21-16;1-2-3/h2-3,7-11,18,22H,4-6H2,1H3;3H,2H2,1H3
InChIKeyGWBHXRBLJZDCAB-UHFFFAOYSA-N
MW408.53 g/mol
LogP4.20
Rot. Bonds2

About ethanol;3-methyl-1-pyridin-2-yl-4-thiophen-3-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-5-one

ethanol;3-methyl-1-pyridin-2-yl-4-thiophen-3-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-5-one (PubChem CID 2999259) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is ethanol;3-methyl-1-pyridin-2-yl-4-thiophen-3-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-5-one.

Molecular Properties

Compound Nameethanol;3-methyl-1-pyridin-2-yl-4-thiophen-3-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-5-one
PubChem CID2999259
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC Nameethanol;3-methyl-1-pyridin-2-yl-4-thiophen-3-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-5-one
SMILESCCO.Cc1nn(-c2ccccn2)c2c1C(c1ccsc1)C1=C(CCCC1=O)N2
InChIInChI=1S/C20H18N4OS.C2H6O/c1-12-17-18(13-8-10-26-11-13)19-14(5-4-6-15(19)25)22-20(17)24(23-12)16-7-2-3-9-21-16;1-2-3/h2-3,7-11,18,22H,4-6H2,1H3;3H,2H2,1H3
InChIKeyGWBHXRBLJZDCAB-UHFFFAOYSA-N
XLogP4.20
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethanol;3-methyl-1-pyridin-2-yl-4-thiophen-3-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethanol;3-methyl-1-pyridin-2-yl-4-thiophen-3-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-5-one?
The IUPAC name of ethanol;3-methyl-1-pyridin-2-yl-4-thiophen-3-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-5-one (CID 2999259) is ethanol;3-methyl-1-pyridin-2-yl-4-thiophen-3-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-5-one.
What is the SMILES notation for ethanol;3-methyl-1-pyridin-2-yl-4-thiophen-3-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-5-one?
The canonical SMILES for ethanol;3-methyl-1-pyridin-2-yl-4-thiophen-3-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-5-one is CCO.Cc1nn(-c2ccccn2)c2c1C(c1ccsc1)C1=C(CCCC1=O)N2.
What is the InChIKey of ethanol;3-methyl-1-pyridin-2-yl-4-thiophen-3-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-5-one?
The InChIKey is GWBHXRBLJZDCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS.C2H6O/c1-12-17-18(13-8-10-26-11-13)19-14(5-4-6-15(19)25)22-20(17)24(23-12)16-7-2-3-9-21-16;1-2-3/h2-3,7-11,18,22H,4-6H2,1H3;3H,2H2,1H3.
What are the key properties of ethanol;3-methyl-1-pyridin-2-yl-4-thiophen-3-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-5-one?
ethanol;3-methyl-1-pyridin-2-yl-4-thiophen-3-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-5-one has a molecular weight of 408.53 g/mol, XLogP of 4.20, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;3-methyl-1-pyridin-2-yl-4-thiophen-3-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-5-one is sourced from PubChem (CID 2999259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).