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

C15H15F3N2O3 — CID 130229550

IUPACmethyl 7-cyclopropyl-6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1cnn2c(C3CC3)c(OCCC(F)(F)F)ccc12
InChIInChI=1S/C15H15F3N2O3/c1-22-14(21)10-8-19-20-11(10)4-5-12(13(20)9-2-3-9)23-7-6-15(16,17)18/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyKYCVZCQOETVXIY-UHFFFAOYSA-N
MW328.29 g/mol
LogP3.33
Rot. Bonds5

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

methyl 7-cyclopropyl-6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 130229550) has the molecular formula C15H15F3N2O3 and a molecular weight of 328.29 g/mol. Its IUPAC name is methyl 7-cyclopropyl-6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-cyclopropyl-6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID130229550
Molecular FormulaC15H15F3N2O3
Molecular Weight328.29 g/mol
Exact Mass328.10
IUPAC Namemethyl 7-cyclopropyl-6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1cnn2c(C3CC3)c(OCCC(F)(F)F)ccc12
InChIInChI=1S/C15H15F3N2O3/c1-22-14(21)10-8-19-20-11(10)4-5-12(13(20)9-2-3-9)23-7-6-15(16,17)18/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyKYCVZCQOETVXIY-UHFFFAOYSA-N
XLogP3.33
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 7-cyclopropyl-6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of methyl 7-cyclopropyl-6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylate (CID 130229550) is methyl 7-cyclopropyl-6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for methyl 7-cyclopropyl-6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for methyl 7-cyclopropyl-6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylate is COC(=O)c1cnn2c(C3CC3)c(OCCC(F)(F)F)ccc12.
What is the InChIKey of methyl 7-cyclopropyl-6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is KYCVZCQOETVXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O3/c1-22-14(21)10-8-19-20-11(10)4-5-12(13(20)9-2-3-9)23-7-6-15(16,17)18/h4-5,8-9H,2-3,6-7H2,1H3.
What are the key properties of methyl 7-cyclopropyl-6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylate?
methyl 7-cyclopropyl-6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 328.29 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-cyclopropyl-6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 130229550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).