methyl 5-(3-methoxyphenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate

C22H19N3O4 — CID 66495889

IUPACmethyl 5-(3-methoxyphenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(-c2cccc(OC)c2)cc2c(=O)n(-c3cccc(C)c3)nc1-2
InChIInChI=1S/C22H19N3O4/c1-14-6-4-8-16(10-14)25-21(26)18-12-24(15-7-5-9-17(11-15)28-2)13-19(20(18)23-25)22(27)29-3/h4-13H,1-3H3
InChIKeyOSYTVYFOFFKWKZ-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.23
Rot. Bonds4

About methyl 5-(3-methoxyphenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate

methyl 5-(3-methoxyphenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate (PubChem CID 66495889) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is methyl 5-(3-methoxyphenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3-methoxyphenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
PubChem CID66495889
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Namemethyl 5-(3-methoxyphenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(-c2cccc(OC)c2)cc2c(=O)n(-c3cccc(C)c3)nc1-2
InChIInChI=1S/C22H19N3O4/c1-14-6-4-8-16(10-14)25-21(26)18-12-24(15-7-5-9-17(11-15)28-2)13-19(20(18)23-25)22(27)29-3/h4-13H,1-3H3
InChIKeyOSYTVYFOFFKWKZ-UHFFFAOYSA-N
XLogP3.23
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-(4-chlorophenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495853
methyl 5-(4-acetamidophenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495921
methyl 5-(2-fluorophenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495772
methyl 5-(3-chlorophenyl)-2-(4-methoxyphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66496218
methyl 5-(3-chloro-2-methylphenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495824
methyl 5-(1,3-dihydroxy-2-methylpropan-2-yl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495916
methyl 5-[2-(2-methoxyphenyl)ethyl]-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495974
methyl 5-[1-(4-chlorophenyl)ethyl]-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495934
methyl 2-(2-methylphenyl)-5-(3-nitrophenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66496070
methyl 2-(4-methoxyphenyl)-3-oxo-5-(1H-pyrazol-5-yl)pyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495852
methyl 5-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-(4-methoxyphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495844
methyl 3-oxo-2-phenyl-5-(1H-1,2,4-triazol-5-yl)pyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495608

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-methoxyphenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate?
The IUPAC name of methyl 5-(3-methoxyphenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate (CID 66495889) is methyl 5-(3-methoxyphenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate.
What is the SMILES notation for methyl 5-(3-methoxyphenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate?
The canonical SMILES for methyl 5-(3-methoxyphenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate is COC(=O)c1cn(-c2cccc(OC)c2)cc2c(=O)n(-c3cccc(C)c3)nc1-2.
What is the InChIKey of methyl 5-(3-methoxyphenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate?
The InChIKey is OSYTVYFOFFKWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-14-6-4-8-16(10-14)25-21(26)18-12-24(15-7-5-9-17(11-15)28-2)13-19(20(18)23-25)22(27)29-3/h4-13H,1-3H3.
What are the key properties of methyl 5-(3-methoxyphenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate?
methyl 5-(3-methoxyphenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate has a molecular weight of 389.41 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-methoxyphenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 66495889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).