ethyl 7-chloro-2-[(2-methylpropan-2-yl)oxycarbonyloxy]pyrazolo[1,5-a]pyridine-3-carboxylate

C15H17ClN2O5 — CID 163299009

IUPACethyl 7-chloro-2-[(2-methylpropan-2-yl)oxycarbonyloxy]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(OC(=O)OC(C)(C)C)nn2c(Cl)cccc12
InChIInChI=1S/C15H17ClN2O5/c1-5-21-13(19)11-9-7-6-8-10(16)18(9)17-12(11)22-14(20)23-15(2,3)4/h6-8H,5H2,1-4H3
InChIKeyWSWSLBPQNGKDEY-UHFFFAOYSA-N
MW340.76 g/mol
LogP3.48
Rot. Bonds3

About ethyl 7-chloro-2-[(2-methylpropan-2-yl)oxycarbonyloxy]pyrazolo[1,5-a]pyridine-3-carboxylate

ethyl 7-chloro-2-[(2-methylpropan-2-yl)oxycarbonyloxy]pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 163299009) has the molecular formula C15H17ClN2O5 and a molecular weight of 340.76 g/mol. Its IUPAC name is ethyl 7-chloro-2-[(2-methylpropan-2-yl)oxycarbonyloxy]pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-chloro-2-[(2-methylpropan-2-yl)oxycarbonyloxy]pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID163299009
Molecular FormulaC15H17ClN2O5
Molecular Weight340.76 g/mol
Exact Mass340.08
IUPAC Nameethyl 7-chloro-2-[(2-methylpropan-2-yl)oxycarbonyloxy]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(OC(=O)OC(C)(C)C)nn2c(Cl)cccc12
InChIInChI=1S/C15H17ClN2O5/c1-5-21-13(19)11-9-7-6-8-10(16)18(9)17-12(11)22-14(20)23-15(2,3)4/h6-8H,5H2,1-4H3
InChIKeyWSWSLBPQNGKDEY-UHFFFAOYSA-N
XLogP3.48
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.76
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze ethyl 7-chloro-2-[(2-methylpropan-2-yl)oxycarbonyloxy]pyrazolo[1,5-a]pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-ethoxycarbonyl-2-phenylpyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 44550354
ethyl 7-chloro-4-(2-chlorophenyl)-2-propan-2-ylpyrrolo[1,2-b]pyridazine-3-carboxylate
CID 69309181
ethyl 2,6-dimethylbenzoate
CID 520807
diethyl pyrazolo[1,5-a]pyridine-2,3-dicarboxylate
CID 53487001
ethyl 3,6-dichloro-2-hydroxybenzoate
CID 130788208
ethyl 7-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 172615357
1-O-tert-butyl 2-O-ethyl 3-hydroxyindole-1,2-dicarboxylate
CID 133055982
ethyl 2,5-dimethylpyrazolo[1,5-a]quinoline-3-carboxylate
CID 102144497
ethyl 6-chloro-3-fluoro-2-methylbenzoate
CID 130921289
ethyl 2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90134610
ethyl 6-methyl-7-(morpholine-4-carbonyl)pyrrolo[1,2-b]pyridazine-5-carboxylate
CID 90461495
ethyl 6-chloro-4-oxoquinolizine-3-carboxylate
CID 163320844

Frequently Asked Questions

What is the IUPAC name of ethyl 7-chloro-2-[(2-methylpropan-2-yl)oxycarbonyloxy]pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 7-chloro-2-[(2-methylpropan-2-yl)oxycarbonyloxy]pyrazolo[1,5-a]pyridine-3-carboxylate (CID 163299009) is ethyl 7-chloro-2-[(2-methylpropan-2-yl)oxycarbonyloxy]pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 7-chloro-2-[(2-methylpropan-2-yl)oxycarbonyloxy]pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 7-chloro-2-[(2-methylpropan-2-yl)oxycarbonyloxy]pyrazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1c(OC(=O)OC(C)(C)C)nn2c(Cl)cccc12.
What is the InChIKey of ethyl 7-chloro-2-[(2-methylpropan-2-yl)oxycarbonyloxy]pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is WSWSLBPQNGKDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O5/c1-5-21-13(19)11-9-7-6-8-10(16)18(9)17-12(11)22-14(20)23-15(2,3)4/h6-8H,5H2,1-4H3.
What are the key properties of ethyl 7-chloro-2-[(2-methylpropan-2-yl)oxycarbonyloxy]pyrazolo[1,5-a]pyridine-3-carboxylate?
ethyl 7-chloro-2-[(2-methylpropan-2-yl)oxycarbonyloxy]pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 340.76 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-chloro-2-[(2-methylpropan-2-yl)oxycarbonyloxy]pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 163299009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).