ethyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate

C17H15N3O4 — CID 90556498

IUPACethyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(NC(=O)/C=C/c3ccco3)cc12
InChIInChI=1S/C17H15N3O4/c1-2-23-17(22)14-11-18-20-8-7-12(10-15(14)20)19-16(21)6-5-13-4-3-9-24-13/h3-11H,2H2,1H3,(H,19,21)/b6-5+
InChIKeyJMUGRSBXVSAPQS-AATRIKPKSA-N
MW325.32 g/mol
LogP2.76
Rot. Bonds5

About ethyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate

ethyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 90556498) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is ethyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID90556498
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Nameethyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(NC(=O)/C=C/c3ccco3)cc12
InChIInChI=1S/C17H15N3O4/c1-2-23-17(22)14-11-18-20-8-7-12(10-15(14)20)19-16(21)6-5-13-4-3-9-24-13/h3-11H,2H2,1H3,(H,19,21)/b6-5+
InChIKeyJMUGRSBXVSAPQS-AATRIKPKSA-N
XLogP2.76
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate with MolForge

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Related Compounds

ethyl 5-[[(E)-3-methylsulfanylprop-2-enoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 166330114
ethyl 5-[(2-chloroacetyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556540
ethyl 5-[(2-methylbenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71797784
ethyl 5-[(2-chlorobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71797786
ethyl 5-[(2-bromobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71797787
ethyl 5-[(2-phenoxyacetyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556593
ethyl 5-[[4-(trifluoromethyl)benzoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556586
ethyl 5-[(3-methoxyphenyl)carbamoylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556693
ethyl 5-(3,3-diphenylpropanoylamino)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556619
ethyl 5-(1,2-oxazole-5-carbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556491
ethyl 5-[(4-fluorobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556567
ethyl 5-[[2-(2-chlorophenyl)acetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71797808

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate (CID 90556498) is ethyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1cnn2ccc(NC(=O)/C=C/c3ccco3)cc12.
What is the InChIKey of ethyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is JMUGRSBXVSAPQS-AATRIKPKSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-2-23-17(22)14-11-18-20-8-7-12(10-15(14)20)19-16(21)6-5-13-4-3-9-24-13/h3-11H,2H2,1H3,(H,19,21)/b6-5+.
What are the key properties of ethyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
ethyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 325.32 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 90556498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).