(E)-3-(dimethylamino)-1-(2-methylpyrazolo[1,5-a]pyridin-3-yl)prop-2-en-1-one;ethane

C17H27N3O — CID 169429292

IUPAC(E)-3-(dimethylamino)-1-(2-methylpyrazolo[1,5-a]pyridin-3-yl)prop-2-en-1-one;ethane
SMILESCC.CC.Cc1nn2ccccc2c1C(=O)/C=C/N(C)C
InChIInChI=1S/C13H15N3O.2C2H6/c1-10-13(12(17)7-9-15(2)3)11-6-4-5-8-16(11)14-10;2*1-2/h4-9H,1-3H3;2*1-2H3/b9-7+;;
InChIKeyQTFKNLBOURSMAD-OJYIHNBOSA-N
MW289.42 g/mol
LogP3.95
Rot. Bonds3

About (E)-3-(dimethylamino)-1-(2-methylpyrazolo[1,5-a]pyridin-3-yl)prop-2-en-1-one;ethane

(E)-3-(dimethylamino)-1-(2-methylpyrazolo[1,5-a]pyridin-3-yl)prop-2-en-1-one;ethane (PubChem CID 169429292) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is (E)-3-(dimethylamino)-1-(2-methylpyrazolo[1,5-a]pyridin-3-yl)prop-2-en-1-one;ethane.

Molecular Properties

Compound Name(E)-3-(dimethylamino)-1-(2-methylpyrazolo[1,5-a]pyridin-3-yl)prop-2-en-1-one;ethane
PubChem CID169429292
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name(E)-3-(dimethylamino)-1-(2-methylpyrazolo[1,5-a]pyridin-3-yl)prop-2-en-1-one;ethane
SMILESCC.CC.Cc1nn2ccccc2c1C(=O)/C=C/N(C)C
InChIInChI=1S/C13H15N3O.2C2H6/c1-10-13(12(17)7-9-15(2)3)11-6-4-5-8-16(11)14-10;2*1-2/h4-9H,1-3H3;2*1-2H3/b9-7+;;
InChIKeyQTFKNLBOURSMAD-OJYIHNBOSA-N
XLogP3.95
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.95
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-methylpyrazolo[1,5-a]pyridin-3-yl)prop-2-en-1-one;ethane 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

3-(dimethylamino)-1-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one
CID 68578733
N,2-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 12872291
2-amino-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)acetic acid
CID 83882240
3-(dimethylamino)-1-(3-ethyl-5-methyl-1-phenylpyrazol-4-yl)prop-2-en-1-one
CID 72593344
(E)-1-(2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)but-2-en-1-one
CID 58641730
(E)-1-[2-(4-chlorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]-3-(dimethylamino)prop-2-en-1-one
CID 11209599
(E)-3-(dimethylamino)-1-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]prop-2-en-1-one
CID 11301343
(2-benzoylpyrazolo[1,5-a]pyridin-3-yl)-phenylmethanone
CID 12580242
(E)-3-(dimethylamino)-1-(1-methylindol-2-yl)prop-2-en-1-one
CID 71668672
(E)-3-(dimethylamino)-1-(2,3,6-trifluorophenyl)prop-2-en-1-one
CID 178161838
diethyl pyrazolo[1,5-a]pyridine-2,3-dicarboxylate
CID 53487001
methyl 2-bromopyrazolo[1,5-a]pyridine-3-carboxylate
CID 131527386

Frequently Asked Questions

What is the IUPAC name of (E)-3-(dimethylamino)-1-(2-methylpyrazolo[1,5-a]pyridin-3-yl)prop-2-en-1-one;ethane?
The IUPAC name of (E)-3-(dimethylamino)-1-(2-methylpyrazolo[1,5-a]pyridin-3-yl)prop-2-en-1-one;ethane (CID 169429292) is (E)-3-(dimethylamino)-1-(2-methylpyrazolo[1,5-a]pyridin-3-yl)prop-2-en-1-one;ethane.
What is the SMILES notation for (E)-3-(dimethylamino)-1-(2-methylpyrazolo[1,5-a]pyridin-3-yl)prop-2-en-1-one;ethane?
The canonical SMILES for (E)-3-(dimethylamino)-1-(2-methylpyrazolo[1,5-a]pyridin-3-yl)prop-2-en-1-one;ethane is CC.CC.Cc1nn2ccccc2c1C(=O)/C=C/N(C)C.
What is the InChIKey of (E)-3-(dimethylamino)-1-(2-methylpyrazolo[1,5-a]pyridin-3-yl)prop-2-en-1-one;ethane?
The InChIKey is QTFKNLBOURSMAD-OJYIHNBOSA-N. The full InChI is InChI=1S/C13H15N3O.2C2H6/c1-10-13(12(17)7-9-15(2)3)11-6-4-5-8-16(11)14-10;2*1-2/h4-9H,1-3H3;2*1-2H3/b9-7+;;.
What are the key properties of (E)-3-(dimethylamino)-1-(2-methylpyrazolo[1,5-a]pyridin-3-yl)prop-2-en-1-one;ethane?
(E)-3-(dimethylamino)-1-(2-methylpyrazolo[1,5-a]pyridin-3-yl)prop-2-en-1-one;ethane has a molecular weight of 289.42 g/mol, XLogP of 3.95, 3 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-methylpyrazolo[1,5-a]pyridin-3-yl)prop-2-en-1-one;ethane is sourced from PubChem (CID 169429292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).