methyl 3-(5-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)benzoate

C20H20N4O2 — CID 110458892

IUPACmethyl 3-(5-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)benzoate
SMILESCOC(=O)c1cccc(-n2nc(-c3ccncc3)c3c2CCN(C)C3)c1
InChIInChI=1S/C20H20N4O2/c1-23-11-8-18-17(13-23)19(14-6-9-21-10-7-14)22-24(18)16-5-3-4-15(12-16)20(25)26-2/h3-7,9-10,12H,8,11,13H2,1-2H3
InChIKeyHBXWGRPQDZXZEB-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.71
Rot. Bonds3

About methyl 3-(5-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)benzoate

methyl 3-(5-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)benzoate (PubChem CID 110458892) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is methyl 3-(5-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-(5-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)benzoate
PubChem CID110458892
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Namemethyl 3-(5-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)benzoate
SMILESCOC(=O)c1cccc(-n2nc(-c3ccncc3)c3c2CCN(C)C3)c1
InChIInChI=1S/C20H20N4O2/c1-23-11-8-18-17(13-23)19(14-6-9-21-10-7-14)22-24(18)16-5-3-4-15(12-16)20(25)26-2/h3-7,9-10,12H,8,11,13H2,1-2H3
InChIKeyHBXWGRPQDZXZEB-UHFFFAOYSA-N
XLogP2.71
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-(5-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)benzoate with MolForge

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Related Compounds

methyl 3-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)benzoate
CID 82585693
methyl 2-(5-methyl-3-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)benzoate
CID 110458889
methyl 3-pyridin-4-ylbenzoate
CID 5152687
methyl 3-(3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoate
CID 82586815
methyl 3-(3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoate
CID 110459041
methyl 3-(3,4,5-trimethylpyrazol-1-yl)benzoate
CID 50888948
3-(3-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid
CID 82587357
1-(3-methoxycarbonylphenyl)-5-propan-2-ylpyrazole-3-carboxylic acid
CID 82361886
methyl 3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzoate
CID 80556382
4-[1-(2,6-difluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]aniline
CID 110458909
4-(5-methyl-1-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)aniline
CID 82586033
ethane;methyl 3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7-carboxylate
CID 91090693

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)benzoate?
The IUPAC name of methyl 3-(5-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)benzoate (CID 110458892) is methyl 3-(5-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)benzoate.
What is the SMILES notation for methyl 3-(5-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)benzoate?
The canonical SMILES for methyl 3-(5-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)benzoate is COC(=O)c1cccc(-n2nc(-c3ccncc3)c3c2CCN(C)C3)c1.
What is the InChIKey of methyl 3-(5-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)benzoate?
The InChIKey is HBXWGRPQDZXZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-23-11-8-18-17(13-23)19(14-6-9-21-10-7-14)22-24(18)16-5-3-4-15(12-16)20(25)26-2/h3-7,9-10,12H,8,11,13H2,1-2H3.
What are the key properties of methyl 3-(5-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)benzoate?
methyl 3-(5-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)benzoate has a molecular weight of 348.41 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)benzoate is sourced from PubChem (CID 110458892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).