methyl 6-(2,6-dimethoxybenzoyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate

C18H21N3O5 — CID 84579484

IUPACmethyl 6-(2,6-dimethoxybenzoyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate
SMILESCOC(=O)c1nn(C)c2c1CCN(C(=O)c1c(OC)cccc1OC)C2
InChIInChI=1S/C18H21N3O5/c1-20-12-10-21(9-8-11(12)16(19-20)18(23)26-4)17(22)15-13(24-2)6-5-7-14(15)25-3/h5-7H,8-10H2,1-4H3
InChIKeyMPQZYZHFUWMJFB-UHFFFAOYSA-N
MW359.38 g/mol
LogP1.42
Rot. Bonds4

About methyl 6-(2,6-dimethoxybenzoyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate

methyl 6-(2,6-dimethoxybenzoyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate (PubChem CID 84579484) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is methyl 6-(2,6-dimethoxybenzoyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2,6-dimethoxybenzoyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate
PubChem CID84579484
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Namemethyl 6-(2,6-dimethoxybenzoyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate
SMILESCOC(=O)c1nn(C)c2c1CCN(C(=O)c1c(OC)cccc1OC)C2
InChIInChI=1S/C18H21N3O5/c1-20-12-10-21(9-8-11(12)16(19-20)18(23)26-4)17(22)15-13(24-2)6-5-7-14(15)25-3/h5-7H,8-10H2,1-4H3
InChIKeyMPQZYZHFUWMJFB-UHFFFAOYSA-N
XLogP1.42
TPSA82.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 6-(2,6-dimethoxybenzoyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-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 1-methyl-6-(2-methylbenzoyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate
CID 84581846
methyl 1-methyl-6-[2-(trifluoromethyl)benzoyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate
CID 84579904
methyl 6-(2-methoxybenzoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 84580825
(2-chloro-6-methoxyphenyl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone
CID 146457251
methyl 1-methyl-5-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride
CID 155940039
methyl 4-(2,6-dimethoxybenzoyl)piperazine-1-carboxylate
CID 110818263
N-benzyl-1-methyl-5-(3,4,5-trimethoxybenzoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53027400
5-N-(2-methoxyphenyl)-1-methyl-3-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxamide
CID 53066984
[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 136545816
methyl 6-(3-methylbenzoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 84579818
N-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 29200423
methyl 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)benzoate
CID 55754615

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2,6-dimethoxybenzoyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate?
The IUPAC name of methyl 6-(2,6-dimethoxybenzoyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate (CID 84579484) is methyl 6-(2,6-dimethoxybenzoyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(2,6-dimethoxybenzoyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(2,6-dimethoxybenzoyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate is COC(=O)c1nn(C)c2c1CCN(C(=O)c1c(OC)cccc1OC)C2.
What is the InChIKey of methyl 6-(2,6-dimethoxybenzoyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate?
The InChIKey is MPQZYZHFUWMJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5/c1-20-12-10-21(9-8-11(12)16(19-20)18(23)26-4)17(22)15-13(24-2)6-5-7-14(15)25-3/h5-7H,8-10H2,1-4H3.
What are the key properties of methyl 6-(2,6-dimethoxybenzoyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate?
methyl 6-(2,6-dimethoxybenzoyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate has a molecular weight of 359.38 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2,6-dimethoxybenzoyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate is sourced from PubChem (CID 84579484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).