(E)-3-(dimethylamino)-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one

C18H16FN3O — CID 21076967

IUPAC(E)-3-(dimethylamino)-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one
SMILESCN(C)/C=C/C(=O)c1c(-c2ccc(F)cc2)nn2ccccc12
InChIInChI=1S/C18H16FN3O/c1-21(2)12-10-16(23)17-15-5-3-4-11-22(15)20-18(17)13-6-8-14(19)9-7-13/h3-12H,1-2H3/b12-10+
InChIKeyYWDWJBZAGINZPD-ZRDIBKRKSA-N
MW309.34 g/mol
LogP3.40
Rot. Bonds4

About (E)-3-(dimethylamino)-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one

(E)-3-(dimethylamino)-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one (PubChem CID 21076967) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is (E)-3-(dimethylamino)-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(dimethylamino)-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one
PubChem CID21076967
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC Name(E)-3-(dimethylamino)-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one
SMILESCN(C)/C=C/C(=O)c1c(-c2ccc(F)cc2)nn2ccccc12
InChIInChI=1S/C18H16FN3O/c1-21(2)12-10-16(23)17-15-5-3-4-11-22(15)20-18(17)13-6-8-14(19)9-7-13/h3-12H,1-2H3/b12-10+
InChIKeyYWDWJBZAGINZPD-ZRDIBKRKSA-N
XLogP3.40
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-(dimethylamino)-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one 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 (E)-3-(dimethylamino)-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one?
The IUPAC name of (E)-3-(dimethylamino)-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one (CID 21076967) is (E)-3-(dimethylamino)-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-3-(dimethylamino)-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one?
The canonical SMILES for (E)-3-(dimethylamino)-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one is CN(C)/C=C/C(=O)c1c(-c2ccc(F)cc2)nn2ccccc12.
What is the InChIKey of (E)-3-(dimethylamino)-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one?
The InChIKey is YWDWJBZAGINZPD-ZRDIBKRKSA-N. The full InChI is InChI=1S/C18H16FN3O/c1-21(2)12-10-16(23)17-15-5-3-4-11-22(15)20-18(17)13-6-8-14(19)9-7-13/h3-12H,1-2H3/b12-10+.
What are the key properties of (E)-3-(dimethylamino)-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one?
(E)-3-(dimethylamino)-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one has a molecular weight of 309.34 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(dimethylamino)-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one is sourced from PubChem (CID 21076967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).