methyl 5-[(2-methoxyquinolin-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate

C19H20N4O3 — CID 50953445

IUPACmethyl 5-[(2-methoxyquinolin-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCOC(=O)c1cc2n(n1)CCN(Cc1cc3ccccc3nc1OC)C2
InChIInChI=1S/C19H20N4O3/c1-25-18-14(9-13-5-3-4-6-16(13)20-18)11-22-7-8-23-15(12-22)10-17(21-23)19(24)26-2/h3-6,9-10H,7-8,11-12H2,1-2H3
InChIKeyGXWHAXHUZJCUJV-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.24
Rot. Bonds4

About methyl 5-[(2-methoxyquinolin-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate

methyl 5-[(2-methoxyquinolin-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 50953445) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is methyl 5-[(2-methoxyquinolin-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2-methoxyquinolin-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
PubChem CID50953445
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Namemethyl 5-[(2-methoxyquinolin-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCOC(=O)c1cc2n(n1)CCN(Cc1cc3ccccc3nc1OC)C2
InChIInChI=1S/C19H20N4O3/c1-25-18-14(9-13-5-3-4-6-16(13)20-18)11-22-7-8-23-15(12-22)10-17(21-23)19(24)26-2/h3-6,9-10H,7-8,11-12H2,1-2H3
InChIKeyGXWHAXHUZJCUJV-UHFFFAOYSA-N
XLogP2.24
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 5-[(2-methoxyquinolin-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate 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

methyl 5-[(8-methoxy-2H-chromen-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 50979082
methyl 5-[(8-hydroxyquinolin-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate
CID 50951202
3-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-methoxyquinoline
CID 56906629
methyl 4-[(2-methoxyquinolin-3-yl)methyl]benzoate
CID 166457894
methyl 5-(2,2-dimethyl-3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 50971369
methyl 5-(4-ethylpiperazin-1-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 50985191
methyl 5-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate
CID 50981247
methyl 5-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate
CID 50983299
methyl 5-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate
CID 50970434
methyl 5-[(E)-4-phenylbut-3-enoyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate
CID 50977815
methyl (2S,4R)-1-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylate
CID 50972197
3-[(3-bromo-1,2,4-triazol-1-yl)methyl]-2-methoxyquinoline
CID 167969042

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2-methoxyquinolin-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-[(2-methoxyquinolin-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate (CID 50953445) is methyl 5-[(2-methoxyquinolin-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-[(2-methoxyquinolin-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-[(2-methoxyquinolin-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate is COC(=O)c1cc2n(n1)CCN(Cc1cc3ccccc3nc1OC)C2.
What is the InChIKey of methyl 5-[(2-methoxyquinolin-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The InChIKey is GXWHAXHUZJCUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-25-18-14(9-13-5-3-4-6-16(13)20-18)11-22-7-8-23-15(12-22)10-17(21-23)19(24)26-2/h3-6,9-10H,7-8,11-12H2,1-2H3.
What are the key properties of methyl 5-[(2-methoxyquinolin-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
methyl 5-[(2-methoxyquinolin-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 352.39 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2-methoxyquinolin-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 50953445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).