1-[7-(butylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]ethanone

C19H20FN3O — CID 69447259

IUPAC1-[7-(butylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]ethanone
SMILESCCCCNc1cccc2c(C(C)=O)c(-c3ccc(F)cc3)nn12
InChIInChI=1S/C19H20FN3O/c1-3-4-12-21-17-7-5-6-16-18(13(2)24)19(22-23(16)17)14-8-10-15(20)11-9-14/h5-11,21H,3-4,12H2,1-2H3
InChIKeyXESCXGMECQHKPX-UHFFFAOYSA-N
MW325.39 g/mol
LogP4.55
Rot. Bonds6

About 1-[7-(butylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]ethanone

1-[7-(butylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]ethanone (PubChem CID 69447259) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is 1-[7-(butylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]ethanone.

Molecular Properties

Compound Name1-[7-(butylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]ethanone
PubChem CID69447259
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name1-[7-(butylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]ethanone
SMILESCCCCNc1cccc2c(C(C)=O)c(-c3ccc(F)cc3)nn12
InChIInChI=1S/C19H20FN3O/c1-3-4-12-21-17-7-5-6-16-18(13(2)24)19(22-23(16)17)14-8-10-15(20)11-9-14/h5-11,21H,3-4,12H2,1-2H3
InChIKeyXESCXGMECQHKPX-UHFFFAOYSA-N
XLogP4.55
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-[7-(butylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]ethanone?
The IUPAC name of 1-[7-(butylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]ethanone (CID 69447259) is 1-[7-(butylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]ethanone.
What is the SMILES notation for 1-[7-(butylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]ethanone?
The canonical SMILES for 1-[7-(butylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]ethanone is CCCCNc1cccc2c(C(C)=O)c(-c3ccc(F)cc3)nn12.
What is the InChIKey of 1-[7-(butylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]ethanone?
The InChIKey is XESCXGMECQHKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O/c1-3-4-12-21-17-7-5-6-16-18(13(2)24)19(22-23(16)17)14-8-10-15(20)11-9-14/h5-11,21H,3-4,12H2,1-2H3.
What are the key properties of 1-[7-(butylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]ethanone?
1-[7-(butylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]ethanone has a molecular weight of 325.39 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(butylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]ethanone is sourced from PubChem (CID 69447259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).