3,4-dimethyl-6-[[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one

C19H22N4O2 — CID 95597605

IUPAC3,4-dimethyl-6-[[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one
SMILESCc1ccccc1[C@H]1CCCN1Cn1nc(C)c2c(C)onc2c1=O
InChIInChI=1S/C19H22N4O2/c1-12-7-4-5-8-15(12)16-9-6-10-22(16)11-23-19(24)18-17(13(2)20-23)14(3)25-21-18/h4-5,7-8,16H,6,9-11H2,1-3H3/t16-/m1/s1
InChIKeyKMMHPEXVXNFQAB-MRXNPFEDSA-N
MW338.41 g/mol
LogP3.10
Rot. Bonds3

About 3,4-dimethyl-6-[[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one

3,4-dimethyl-6-[[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one (PubChem CID 95597605) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3,4-dimethyl-6-[[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one.

Molecular Properties

Compound Name3,4-dimethyl-6-[[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one
PubChem CID95597605
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name3,4-dimethyl-6-[[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one
SMILESCc1ccccc1[C@H]1CCCN1Cn1nc(C)c2c(C)onc2c1=O
InChIInChI=1S/C19H22N4O2/c1-12-7-4-5-8-15(12)16-9-6-10-22(16)11-23-19(24)18-17(13(2)20-23)14(3)25-21-18/h4-5,7-8,16H,6,9-11H2,1-3H3/t16-/m1/s1
InChIKeyKMMHPEXVXNFQAB-MRXNPFEDSA-N
XLogP3.10
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3,4-dimethyl-6-[[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-[1,2]oxazolo[3,4-d]pyridazin-7-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

3,4-dimethyl-6-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one
CID 56823637
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 53056326
3,4-dimethyl-6-(2-oxo-2-piperidin-1-ylethyl)-[1,2]oxazolo[3,4-d]pyridazin-7-one
CID 53056290
N-cyclopropyl-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide
CID 53004694
6-[2-(diethylamino)ethyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
CID 3039782
N-[3-[cyclohexyl(methyl)amino]propyl]-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide
CID 53056304
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(3-methylphenyl)acetamide
CID 53056535
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(2-phenylethyl)acetamide
CID 53056505
6-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
CID 110921665
6-[(2S)-2-hydroxy-4-phenylbutyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
CID 99777563
2-[[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 94553805
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 95064731

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-6-[[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The IUPAC name of 3,4-dimethyl-6-[[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one (CID 95597605) is 3,4-dimethyl-6-[[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one.
What is the SMILES notation for 3,4-dimethyl-6-[[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The canonical SMILES for 3,4-dimethyl-6-[[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one is Cc1ccccc1[C@H]1CCCN1Cn1nc(C)c2c(C)onc2c1=O.
What is the InChIKey of 3,4-dimethyl-6-[[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The InChIKey is KMMHPEXVXNFQAB-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-12-7-4-5-8-15(12)16-9-6-10-22(16)11-23-19(24)18-17(13(2)20-23)14(3)25-21-18/h4-5,7-8,16H,6,9-11H2,1-3H3/t16-/m1/s1.
What are the key properties of 3,4-dimethyl-6-[[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one?
3,4-dimethyl-6-[[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one has a molecular weight of 338.41 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-6-[[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one is sourced from PubChem (CID 95597605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).