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

C17H19N3O3 — CID 84581846

IUPACmethyl 1-methyl-6-(2-methylbenzoyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate
SMILESCOC(=O)c1nn(C)c2c1CCN(C(=O)c1ccccc1C)C2
InChIInChI=1S/C17H19N3O3/c1-11-6-4-5-7-12(11)16(21)20-9-8-13-14(10-20)19(2)18-15(13)17(22)23-3/h4-7H,8-10H2,1-3H3
InChIKeyOJMJWMXXOGAGEQ-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.71
Rot. Bonds2

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

methyl 1-methyl-6-(2-methylbenzoyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate (PubChem CID 84581846) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is methyl 1-methyl-6-(2-methylbenzoyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-6-(2-methylbenzoyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate
PubChem CID84581846
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Namemethyl 1-methyl-6-(2-methylbenzoyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate
SMILESCOC(=O)c1nn(C)c2c1CCN(C(=O)c1ccccc1C)C2
InChIInChI=1S/C17H19N3O3/c1-11-6-4-5-7-12(11)16(21)20-9-8-13-14(10-20)19(2)18-15(13)17(22)23-3/h4-7H,8-10H2,1-3H3
InChIKeyOJMJWMXXOGAGEQ-UHFFFAOYSA-N
XLogP1.71
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-methyl-6-[2-(trifluoromethyl)benzoyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate
CID 84579904
methyl 6-(2,6-dimethoxybenzoyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate
CID 84579484
methyl 4-[[2-(2-methylbenzoyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl]methyl]benzoate
CID 175192439
methyl 6-(2-methoxybenzoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 84580825
methyl 1-methyl-5-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride
CID 155940039
(1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-(2,3,4-trifluorophenyl)methanone
CID 84582225
(1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-pyridin-2-ylmethanone
CID 84582242
(2-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 904148
N-[[3-methyl-5-(2-methylbenzoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide
CID 71836360
methyl N-[5-(2-methylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528814
[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-methylphenyl)methanone
CID 53018608
(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-(2-methylphenyl)methanone
CID 113090173

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-6-(2-methylbenzoyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate?
The IUPAC name of methyl 1-methyl-6-(2-methylbenzoyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate (CID 84581846) is methyl 1-methyl-6-(2-methylbenzoyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 1-methyl-6-(2-methylbenzoyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 1-methyl-6-(2-methylbenzoyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate is COC(=O)c1nn(C)c2c1CCN(C(=O)c1ccccc1C)C2.
What is the InChIKey of methyl 1-methyl-6-(2-methylbenzoyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate?
The InChIKey is OJMJWMXXOGAGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-11-6-4-5-7-12(11)16(21)20-9-8-13-14(10-20)19(2)18-15(13)17(22)23-3/h4-7H,8-10H2,1-3H3.
What are the key properties of methyl 1-methyl-6-(2-methylbenzoyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate?
methyl 1-methyl-6-(2-methylbenzoyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate has a molecular weight of 313.36 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-6-(2-methylbenzoyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate is sourced from PubChem (CID 84581846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).