methyl 3-bromo-2-[2-(2-methylpyrazolo[1,5-a]pyridine-6-carbonyl)oxyethyl]pyrazolo[1,5-a]pyridine-6-carboxylate

C20H17BrN4O4 — CID 153392895

IUPACmethyl 3-bromo-2-[2-(2-methylpyrazolo[1,5-a]pyridine-6-carbonyl)oxyethyl]pyrazolo[1,5-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2c(Br)c(CCOC(=O)c3ccc4cc(C)nn4c3)nn2c1
InChIInChI=1S/C20H17BrN4O4/c1-12-9-15-5-3-14(10-24(15)22-12)20(27)29-8-7-16-18(21)17-6-4-13(19(26)28-2)11-25(17)23-16/h3-6,9-11H,7-8H2,1-2H3
InChIKeyMGVTTZROMZOUAJ-UHFFFAOYSA-N
MW457.28 g/mol
LogP3.24
Rot. Bonds5

About methyl 3-bromo-2-[2-(2-methylpyrazolo[1,5-a]pyridine-6-carbonyl)oxyethyl]pyrazolo[1,5-a]pyridine-6-carboxylate

methyl 3-bromo-2-[2-(2-methylpyrazolo[1,5-a]pyridine-6-carbonyl)oxyethyl]pyrazolo[1,5-a]pyridine-6-carboxylate (PubChem CID 153392895) has the molecular formula C20H17BrN4O4 and a molecular weight of 457.28 g/mol. Its IUPAC name is methyl 3-bromo-2-[2-(2-methylpyrazolo[1,5-a]pyridine-6-carbonyl)oxyethyl]pyrazolo[1,5-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-bromo-2-[2-(2-methylpyrazolo[1,5-a]pyridine-6-carbonyl)oxyethyl]pyrazolo[1,5-a]pyridine-6-carboxylate
PubChem CID153392895
Molecular FormulaC20H17BrN4O4
Molecular Weight457.28 g/mol
Exact Mass456.04
IUPAC Namemethyl 3-bromo-2-[2-(2-methylpyrazolo[1,5-a]pyridine-6-carbonyl)oxyethyl]pyrazolo[1,5-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2c(Br)c(CCOC(=O)c3ccc4cc(C)nn4c3)nn2c1
InChIInChI=1S/C20H17BrN4O4/c1-12-9-15-5-3-14(10-24(15)22-12)20(27)29-8-7-16-18(21)17-6-4-13(19(26)28-2)11-25(17)23-16/h3-6,9-11H,7-8H2,1-2H3
InChIKeyMGVTTZROMZOUAJ-UHFFFAOYSA-N
XLogP3.24
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.28
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

Ethyl pyrazolo(1,5-a)pyridine-3-carboxylate
CID 2795464
Pyrazolo[1,5-a]pyridine-3-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 19770958
Cyclohexyl 2-pyridin-4-ylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 137634765
Butyl 2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 137658202
Ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate
CID 53249841
Ethyl 5-aminopyrazolo[1,5-a]pyridine-3-carboxylate
CID 59476232
3-Bromopyrazolo(1,5-a)pyridine-6-carboxylic acid
CID 83824878
Ethyl 2-pyridin-4-ylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 102503342
Ethyl 2-(4-methoxycarbonylphenyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 137636784
Ethyl 2-(4-phenylphenyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 137646934
Ethyl 2-pyridin-3-ylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 137647742
Ethyl 2-(3-bromophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 137658227

Frequently Asked Questions

What is the IUPAC name of methyl 3-bromo-2-[2-(2-methylpyrazolo[1,5-a]pyridine-6-carbonyl)oxyethyl]pyrazolo[1,5-a]pyridine-6-carboxylate?
The IUPAC name of methyl 3-bromo-2-[2-(2-methylpyrazolo[1,5-a]pyridine-6-carbonyl)oxyethyl]pyrazolo[1,5-a]pyridine-6-carboxylate (CID 153392895) is methyl 3-bromo-2-[2-(2-methylpyrazolo[1,5-a]pyridine-6-carbonyl)oxyethyl]pyrazolo[1,5-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-bromo-2-[2-(2-methylpyrazolo[1,5-a]pyridine-6-carbonyl)oxyethyl]pyrazolo[1,5-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-bromo-2-[2-(2-methylpyrazolo[1,5-a]pyridine-6-carbonyl)oxyethyl]pyrazolo[1,5-a]pyridine-6-carboxylate is COC(=O)c1ccc2c(Br)c(CCOC(=O)c3ccc4cc(C)nn4c3)nn2c1.
What is the InChIKey of methyl 3-bromo-2-[2-(2-methylpyrazolo[1,5-a]pyridine-6-carbonyl)oxyethyl]pyrazolo[1,5-a]pyridine-6-carboxylate?
The InChIKey is MGVTTZROMZOUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN4O4/c1-12-9-15-5-3-14(10-24(15)22-12)20(27)29-8-7-16-18(21)17-6-4-13(19(26)28-2)11-25(17)23-16/h3-6,9-11H,7-8H2,1-2H3.
What are the key properties of methyl 3-bromo-2-[2-(2-methylpyrazolo[1,5-a]pyridine-6-carbonyl)oxyethyl]pyrazolo[1,5-a]pyridine-6-carboxylate?
methyl 3-bromo-2-[2-(2-methylpyrazolo[1,5-a]pyridine-6-carbonyl)oxyethyl]pyrazolo[1,5-a]pyridine-6-carboxylate has a molecular weight of 457.28 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-bromo-2-[2-(2-methylpyrazolo[1,5-a]pyridine-6-carbonyl)oxyethyl]pyrazolo[1,5-a]pyridine-6-carboxylate is sourced from PubChem (CID 153392895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).