(7S)-3-chloro-2-(6-methoxyquinolin-4-yl)-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C17H15ClN4O2 — CID 163235634

IUPAC(7S)-3-chloro-2-(6-methoxyquinolin-4-yl)-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccc2nccc(-c3nn4c(c3Cl)C(=O)NC[C@@H]4C)c2c1
InChIInChI=1S/C17H15ClN4O2/c1-9-8-20-17(23)16-14(18)15(21-22(9)16)11-5-6-19-13-4-3-10(24-2)7-12(11)13/h3-7,9H,8H2,1-2H3,(H,20,23)/t9-/m0/s1
InChIKeyLBFROLUQXHLLNJ-VIFPVBQESA-N
MW342.79 g/mol
LogP3.06
Rot. Bonds2

About (7S)-3-chloro-2-(6-methoxyquinolin-4-yl)-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

(7S)-3-chloro-2-(6-methoxyquinolin-4-yl)-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 163235634) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is (7S)-3-chloro-2-(6-methoxyquinolin-4-yl)-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name(7S)-3-chloro-2-(6-methoxyquinolin-4-yl)-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID163235634
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC Name(7S)-3-chloro-2-(6-methoxyquinolin-4-yl)-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccc2nccc(-c3nn4c(c3Cl)C(=O)NC[C@@H]4C)c2c1
InChIInChI=1S/C17H15ClN4O2/c1-9-8-20-17(23)16-14(18)15(21-22(9)16)11-5-6-19-13-4-3-10(24-2)7-12(11)13/h3-7,9H,8H2,1-2H3,(H,20,23)/t9-/m0/s1
InChIKeyLBFROLUQXHLLNJ-VIFPVBQESA-N
XLogP3.06
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (7S)-3-chloro-2-(6-methoxyquinolin-4-yl)-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

(7S)-3-(3-chloro-2-methoxyanilino)-7-methyl-2-(1H-pyrazolo[4,3-b]pyridin-7-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 163235635
(7S)-3-(3-chloro-2-methoxyanilino)-7-methyl-2-([1,2]thiazolo[4,5-b]pyridin-7-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 163235486
3-iodo-2-(6-methoxyquinolin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 163249855
5-(6-methoxyquinolin-4-yl)-2-methylphenol
CID 70854482
6-methoxy-4-(1H-pyrazol-4-yl)quinoline
CID 67260724
(7S)-7-methyl-3-[2-(methylamino)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 141420839
9-methoxy-2,4-dimethyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole
CID 136841405
4-ethyl-9-methoxy-3-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole
CID 137012283
4-(2-isocyanatoethyl)-6-methoxyquinoline
CID 121004004
ethyl formate;6-methoxy-4-phenylquinoline
CID 161481993
4-tert-butyl-6-methoxyquinoline
CID 58989607
6-methoxyquinoline-4-sulfonic acid
CID 119093175

Frequently Asked Questions

What is the IUPAC name of (7S)-3-chloro-2-(6-methoxyquinolin-4-yl)-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of (7S)-3-chloro-2-(6-methoxyquinolin-4-yl)-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 163235634) is (7S)-3-chloro-2-(6-methoxyquinolin-4-yl)-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for (7S)-3-chloro-2-(6-methoxyquinolin-4-yl)-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for (7S)-3-chloro-2-(6-methoxyquinolin-4-yl)-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is COc1ccc2nccc(-c3nn4c(c3Cl)C(=O)NC[C@@H]4C)c2c1.
What is the InChIKey of (7S)-3-chloro-2-(6-methoxyquinolin-4-yl)-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is LBFROLUQXHLLNJ-VIFPVBQESA-N. The full InChI is InChI=1S/C17H15ClN4O2/c1-9-8-20-17(23)16-14(18)15(21-22(9)16)11-5-6-19-13-4-3-10(24-2)7-12(11)13/h3-7,9H,8H2,1-2H3,(H,20,23)/t9-/m0/s1.
What are the key properties of (7S)-3-chloro-2-(6-methoxyquinolin-4-yl)-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
(7S)-3-chloro-2-(6-methoxyquinolin-4-yl)-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 342.79 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-3-chloro-2-(6-methoxyquinolin-4-yl)-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 163235634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).