3-O-(2-methoxyethyl) 5-O-methyl 2,6-dimethyl-4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)pyridine-3,5-dicarboxylate

C23H27N3O5 — CID 139602299

IUPAC3-O-(2-methoxyethyl) 5-O-methyl 2,6-dimethyl-4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)pyridine-3,5-dicarboxylate
SMILESCOCCOC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1c(C(C)C)nn2ccccc12
InChIInChI=1S/C23H27N3O5/c1-13(2)21-19(16-9-7-8-10-26(16)25-21)20-17(22(27)30-6)14(3)24-15(4)18(20)23(28)31-12-11-29-5/h7-10,13H,11-12H2,1-6H3
InChIKeyIUICGYNQQROGSR-UHFFFAOYSA-N
MW425.49 g/mol
LogP3.73
Rot. Bonds7

About 3-O-(2-methoxyethyl) 5-O-methyl 2,6-dimethyl-4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)pyridine-3,5-dicarboxylate

3-O-(2-methoxyethyl) 5-O-methyl 2,6-dimethyl-4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)pyridine-3,5-dicarboxylate (PubChem CID 139602299) has the molecular formula C23H27N3O5 and a molecular weight of 425.49 g/mol. Its IUPAC name is 3-O-(2-methoxyethyl) 5-O-methyl 2,6-dimethyl-4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Name3-O-(2-methoxyethyl) 5-O-methyl 2,6-dimethyl-4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)pyridine-3,5-dicarboxylate
PubChem CID139602299
Molecular FormulaC23H27N3O5
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC Name3-O-(2-methoxyethyl) 5-O-methyl 2,6-dimethyl-4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)pyridine-3,5-dicarboxylate
SMILESCOCCOC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1c(C(C)C)nn2ccccc12
InChIInChI=1S/C23H27N3O5/c1-13(2)21-19(16-9-7-8-10-26(16)25-21)20-17(22(27)30-6)14(3)24-15(4)18(20)23(28)31-12-11-29-5/h7-10,13H,11-12H2,1-6H3
InChIKeyIUICGYNQQROGSR-UHFFFAOYSA-N
XLogP3.73
TPSA92.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Ethyl pyrazolo(1,5-a)pyridine-3-carboxylate
CID 2795464
Diethyl 2,6-dimethyl-2',4-bipyridine-3,5-dicarboxylate
CID 1070616
Methyl 1-phenyl-3-(3-pyridyl)pyrazole-4-carboxylate
CID 752167
ethyl 1-phenyl-3-(3-pyridinyl)-1H-pyrazole-4-carboxylate
CID 883633
Diethyl 2-phenylindolizine-1,3-dicarboxylate
CID 44531961
Pyrazolo[1,5-a]pyridine-3-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 19770958
TK9Msv53AD
CID 10360713
4-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-pyrazolo[1,5-a]pyridine-3-carboxylic acid ethyl ester
CID 10960333
Cyclohexyl 2-pyridin-4-ylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 137634765
Cyclohexyl 2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 137642480
Butyl 2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 137658202
Benzyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate
CID 164609283

Frequently Asked Questions

What is the IUPAC name of 3-O-(2-methoxyethyl) 5-O-methyl 2,6-dimethyl-4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)pyridine-3,5-dicarboxylate?
The IUPAC name of 3-O-(2-methoxyethyl) 5-O-methyl 2,6-dimethyl-4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)pyridine-3,5-dicarboxylate (CID 139602299) is 3-O-(2-methoxyethyl) 5-O-methyl 2,6-dimethyl-4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)pyridine-3,5-dicarboxylate.
What is the SMILES notation for 3-O-(2-methoxyethyl) 5-O-methyl 2,6-dimethyl-4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)pyridine-3,5-dicarboxylate?
The canonical SMILES for 3-O-(2-methoxyethyl) 5-O-methyl 2,6-dimethyl-4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)pyridine-3,5-dicarboxylate is COCCOC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1c(C(C)C)nn2ccccc12.
What is the InChIKey of 3-O-(2-methoxyethyl) 5-O-methyl 2,6-dimethyl-4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)pyridine-3,5-dicarboxylate?
The InChIKey is IUICGYNQQROGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5/c1-13(2)21-19(16-9-7-8-10-26(16)25-21)20-17(22(27)30-6)14(3)24-15(4)18(20)23(28)31-12-11-29-5/h7-10,13H,11-12H2,1-6H3.
What are the key properties of 3-O-(2-methoxyethyl) 5-O-methyl 2,6-dimethyl-4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)pyridine-3,5-dicarboxylate?
3-O-(2-methoxyethyl) 5-O-methyl 2,6-dimethyl-4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)pyridine-3,5-dicarboxylate has a molecular weight of 425.49 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-O-(2-methoxyethyl) 5-O-methyl 2,6-dimethyl-4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)pyridine-3,5-dicarboxylate is sourced from PubChem (CID 139602299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).