ethyl 5-[[4-(trifluoromethyl)benzoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate

C18H14F3N3O3 — CID 90556586

IUPACethyl 5-[[4-(trifluoromethyl)benzoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc12
InChIInChI=1S/C18H14F3N3O3/c1-2-27-17(26)14-10-22-24-8-7-13(9-15(14)24)23-16(25)11-3-5-12(6-4-11)18(19,20)21/h3-10H,2H2,1H3,(H,23,25)
InChIKeyLKLXJOKRSMKMIO-UHFFFAOYSA-N
MW377.32 g/mol
LogP3.78
Rot. Bonds4

About ethyl 5-[[4-(trifluoromethyl)benzoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate

ethyl 5-[[4-(trifluoromethyl)benzoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 90556586) has the molecular formula C18H14F3N3O3 and a molecular weight of 377.32 g/mol. Its IUPAC name is ethyl 5-[[4-(trifluoromethyl)benzoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[4-(trifluoromethyl)benzoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID90556586
Molecular FormulaC18H14F3N3O3
Molecular Weight377.32 g/mol
Exact Mass377.10
IUPAC Nameethyl 5-[[4-(trifluoromethyl)benzoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc12
InChIInChI=1S/C18H14F3N3O3/c1-2-27-17(26)14-10-22-24-8-7-13(9-15(14)24)23-16(25)11-3-5-12(6-4-11)18(19,20)21/h3-10H,2H2,1H3,(H,23,25)
InChIKeyLKLXJOKRSMKMIO-UHFFFAOYSA-N
XLogP3.78
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 5-[[4-(trifluoromethyl)benzoyl]amino]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

ethyl 5-[(4-fluorobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556567
ethyl 5-[(2-methylbenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71797784
ethyl 5-(1,2-oxazole-5-carbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556491
ethyl 5-[[2-(trifluoromethyl)phenyl]carbamoylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556717
ethyl 5-[(2-chlorobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71797786
ethyl 5-[(2-chloroacetyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556540
ethyl 5-[(2-bromobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71797787
ethyl 5-[(2,3-dimethoxybenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556559
ethyl 5-[[(E)-3-methylsulfanylprop-2-enoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 166330114
ethyl 5-[(2-phenoxyacetyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556593
ethyl 5-[[2-(4-fluorophenyl)sulfanylacetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556650
ethyl 5-[(3-methoxyphenyl)carbamoylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556693

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[4-(trifluoromethyl)benzoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-[[4-(trifluoromethyl)benzoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate (CID 90556586) is ethyl 5-[[4-(trifluoromethyl)benzoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[[4-(trifluoromethyl)benzoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[[4-(trifluoromethyl)benzoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1cnn2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc12.
What is the InChIKey of ethyl 5-[[4-(trifluoromethyl)benzoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is LKLXJOKRSMKMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O3/c1-2-27-17(26)14-10-22-24-8-7-13(9-15(14)24)23-16(25)11-3-5-12(6-4-11)18(19,20)21/h3-10H,2H2,1H3,(H,23,25).
What are the key properties of ethyl 5-[[4-(trifluoromethyl)benzoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
ethyl 5-[[4-(trifluoromethyl)benzoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 377.32 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[4-(trifluoromethyl)benzoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 90556586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).