1-(2-ethylpiperidin-1-yl)-3-(4-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-en-1-one

C24H27N3O — CID 54044169

IUPAC1-(2-ethylpiperidin-1-yl)-3-(4-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-en-1-one
SMILESCCC1CCCCN1C(=O)C=Cc1c(-c2ccccc2)nn2cccc(C)c12
InChIInChI=1S/C24H27N3O/c1-3-20-13-7-8-16-26(20)22(28)15-14-21-23(19-11-5-4-6-12-19)25-27-17-9-10-18(2)24(21)27/h4-6,9-12,14-15,17,20H,3,7-8,13,16H2,1-2H3
InChIKeyLOJVBNGQBXYNLA-UHFFFAOYSA-N
MW373.50 g/mol
LogP5.11
Rot. Bonds4

About 1-(2-ethylpiperidin-1-yl)-3-(4-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-en-1-one

1-(2-ethylpiperidin-1-yl)-3-(4-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-en-1-one (PubChem CID 54044169) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-(2-ethylpiperidin-1-yl)-3-(4-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(2-ethylpiperidin-1-yl)-3-(4-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-en-1-one
PubChem CID54044169
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name1-(2-ethylpiperidin-1-yl)-3-(4-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-en-1-one
SMILESCCC1CCCCN1C(=O)C=Cc1c(-c2ccccc2)nn2cccc(C)c12
InChIInChI=1S/C24H27N3O/c1-3-20-13-7-8-16-26(20)22(28)15-14-21-23(19-11-5-4-6-12-19)25-27-17-9-10-18(2)24(21)27/h4-6,9-12,14-15,17,20H,3,7-8,13,16H2,1-2H3
InChIKeyLOJVBNGQBXYNLA-UHFFFAOYSA-N
XLogP5.11
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2-[(2R)-1-[3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]acetamide
CID 54008470
(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(2-ethylpiperidin-1-yl)prop-2-en-1-one
CID 134028246
methyl 2-[1-[3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]acetate
CID 54162177
1-(2-ethylpiperidin-1-yl)-3-[2-(3-nitrophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one
CID 54520303
2-[1-[(E)-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]ethyl acetate
CID 19092455
1-(2-ethylpiperidin-1-yl)-2-methyl-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-en-1-one
CID 54055162
3-(4-chloro-2-phenylpyrazolo[1,5-a]pyridin-5-yl)-1-(2-ethylpiperidin-1-yl)prop-2-en-1-one
CID 54438419
(E)-1-(2-ethylpiperidin-1-yl)-3-thiophen-2-ylprop-2-en-1-one
CID 6048868
(E)-1-[2-(hydroxymethyl)azepan-1-yl]-3-phenylprop-2-en-1-one
CID 116635920
3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-1-(2-ethylpiperidin-1-yl)prop-2-en-1-one
CID 75981659
1-(2-ethylpiperidin-1-yl)-2-(2-methylphenoxy)ethanone
CID 112977253
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 7291203

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidin-1-yl)-3-(4-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-en-1-one?
The IUPAC name of 1-(2-ethylpiperidin-1-yl)-3-(4-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-en-1-one (CID 54044169) is 1-(2-ethylpiperidin-1-yl)-3-(4-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(2-ethylpiperidin-1-yl)-3-(4-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-en-1-one?
The canonical SMILES for 1-(2-ethylpiperidin-1-yl)-3-(4-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-en-1-one is CCC1CCCCN1C(=O)C=Cc1c(-c2ccccc2)nn2cccc(C)c12.
What is the InChIKey of 1-(2-ethylpiperidin-1-yl)-3-(4-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-en-1-one?
The InChIKey is LOJVBNGQBXYNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-3-20-13-7-8-16-26(20)22(28)15-14-21-23(19-11-5-4-6-12-19)25-27-17-9-10-18(2)24(21)27/h4-6,9-12,14-15,17,20H,3,7-8,13,16H2,1-2H3.
What are the key properties of 1-(2-ethylpiperidin-1-yl)-3-(4-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-en-1-one?
1-(2-ethylpiperidin-1-yl)-3-(4-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-en-1-one has a molecular weight of 373.50 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidin-1-yl)-3-(4-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-en-1-one is sourced from PubChem (CID 54044169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).