methyl 7-cyclopropyl-6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyrazolo[1,5-a]pyridine-3-carboxylate

C16H17F3N2O4 — CID 130229662

IUPACmethyl 7-cyclopropyl-6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1cnn2c(C3CC3)c(OCCOCC(F)(F)F)ccc12
InChIInChI=1S/C16H17F3N2O4/c1-23-15(22)11-8-20-21-12(11)4-5-13(14(21)10-2-3-10)25-7-6-24-9-16(17,18)19/h4-5,8,10H,2-3,6-7,9H2,1H3
InChIKeyOHRWCOXLMWHGIO-UHFFFAOYSA-N
MW358.32 g/mol
LogP2.96
Rot. Bonds7

About methyl 7-cyclopropyl-6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyrazolo[1,5-a]pyridine-3-carboxylate

methyl 7-cyclopropyl-6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 130229662) has the molecular formula C16H17F3N2O4 and a molecular weight of 358.32 g/mol. Its IUPAC name is methyl 7-cyclopropyl-6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-cyclopropyl-6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID130229662
Molecular FormulaC16H17F3N2O4
Molecular Weight358.32 g/mol
Exact Mass358.11
IUPAC Namemethyl 7-cyclopropyl-6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1cnn2c(C3CC3)c(OCCOCC(F)(F)F)ccc12
InChIInChI=1S/C16H17F3N2O4/c1-23-15(22)11-8-20-21-12(11)4-5-13(14(21)10-2-3-10)25-7-6-24-9-16(17,18)19/h4-5,8,10H,2-3,6-7,9H2,1H3
InChIKeyOHRWCOXLMWHGIO-UHFFFAOYSA-N
XLogP2.96
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 7-cyclopropyl-6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of methyl 7-cyclopropyl-6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyrazolo[1,5-a]pyridine-3-carboxylate (CID 130229662) is methyl 7-cyclopropyl-6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for methyl 7-cyclopropyl-6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for methyl 7-cyclopropyl-6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyrazolo[1,5-a]pyridine-3-carboxylate is COC(=O)c1cnn2c(C3CC3)c(OCCOCC(F)(F)F)ccc12.
What is the InChIKey of methyl 7-cyclopropyl-6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is OHRWCOXLMWHGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O4/c1-23-15(22)11-8-20-21-12(11)4-5-13(14(21)10-2-3-10)25-7-6-24-9-16(17,18)19/h4-5,8,10H,2-3,6-7,9H2,1H3.
What are the key properties of methyl 7-cyclopropyl-6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyrazolo[1,5-a]pyridine-3-carboxylate?
methyl 7-cyclopropyl-6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 358.32 g/mol, XLogP of 2.96, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-cyclopropyl-6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 130229662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).