ethyl 2-(4-fluorophenyl)-5-methoxy-6-(pent-4-enylamino)pyrazolo[1,5-a]pyridine-3-carboxylate

C22H24FN3O3 — CID 121481100

IUPACethyl 2-(4-fluorophenyl)-5-methoxy-6-(pent-4-enylamino)pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESC=CCCCNc1cn2nc(-c3ccc(F)cc3)c(C(=O)OCC)c2cc1OC
InChIInChI=1S/C22H24FN3O3/c1-4-6-7-12-24-17-14-26-18(13-19(17)28-3)20(22(27)29-5-2)21(25-26)15-8-10-16(23)11-9-15/h4,8-11,13-14,24H,1,5-7,12H2,2-3H3
InChIKeyDECFVSKJPJDLBZ-UHFFFAOYSA-N
MW397.45 g/mol
LogP4.70
Rot. Bonds9

About ethyl 2-(4-fluorophenyl)-5-methoxy-6-(pent-4-enylamino)pyrazolo[1,5-a]pyridine-3-carboxylate

ethyl 2-(4-fluorophenyl)-5-methoxy-6-(pent-4-enylamino)pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 121481100) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is ethyl 2-(4-fluorophenyl)-5-methoxy-6-(pent-4-enylamino)pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-fluorophenyl)-5-methoxy-6-(pent-4-enylamino)pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID121481100
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC Nameethyl 2-(4-fluorophenyl)-5-methoxy-6-(pent-4-enylamino)pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESC=CCCCNc1cn2nc(-c3ccc(F)cc3)c(C(=O)OCC)c2cc1OC
InChIInChI=1S/C22H24FN3O3/c1-4-6-7-12-24-17-14-26-18(13-19(17)28-3)20(22(27)29-5-2)21(25-26)15-8-10-16(23)11-9-15/h4,8-11,13-14,24H,1,5-7,12H2,2-3H3
InChIKeyDECFVSKJPJDLBZ-UHFFFAOYSA-N
XLogP4.70
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 2-(4-fluorophenyl)-5-methoxy-6-(pent-4-enylamino)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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-fluorophenyl)-5-methoxy-6-(pent-4-enylamino)pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(4-fluorophenyl)-5-methoxy-6-(pent-4-enylamino)pyrazolo[1,5-a]pyridine-3-carboxylate (CID 121481100) is ethyl 2-(4-fluorophenyl)-5-methoxy-6-(pent-4-enylamino)pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(4-fluorophenyl)-5-methoxy-6-(pent-4-enylamino)pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(4-fluorophenyl)-5-methoxy-6-(pent-4-enylamino)pyrazolo[1,5-a]pyridine-3-carboxylate is C=CCCCNc1cn2nc(-c3ccc(F)cc3)c(C(=O)OCC)c2cc1OC.
What is the InChIKey of ethyl 2-(4-fluorophenyl)-5-methoxy-6-(pent-4-enylamino)pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is DECFVSKJPJDLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3/c1-4-6-7-12-24-17-14-26-18(13-19(17)28-3)20(22(27)29-5-2)21(25-26)15-8-10-16(23)11-9-15/h4,8-11,13-14,24H,1,5-7,12H2,2-3H3.
What are the key properties of ethyl 2-(4-fluorophenyl)-5-methoxy-6-(pent-4-enylamino)pyrazolo[1,5-a]pyridine-3-carboxylate?
ethyl 2-(4-fluorophenyl)-5-methoxy-6-(pent-4-enylamino)pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 397.45 g/mol, XLogP of 4.70, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-fluorophenyl)-5-methoxy-6-(pent-4-enylamino)pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 121481100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).