1-(2-ethylpiperidin-1-yl)-3-[2-(3-nitrophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one

C23H24N4O3 — CID 54520303

IUPAC1-(2-ethylpiperidin-1-yl)-3-[2-(3-nitrophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one
SMILESCCC1CCCCN1C(=O)C=Cc1c(-c2cccc([N+](=O)[O-])c2)nn2ccccc12
InChIInChI=1S/C23H24N4O3/c1-2-18-9-3-5-14-25(18)22(28)13-12-20-21-11-4-6-15-26(21)24-23(20)17-8-7-10-19(16-17)27(29)30/h4,6-8,10-13,15-16,18H,2-3,5,9,14H2,1H3
InChIKeyYPIKDZDZMTYOBK-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.71
Rot. Bonds5

About 1-(2-ethylpiperidin-1-yl)-3-[2-(3-nitrophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one

1-(2-ethylpiperidin-1-yl)-3-[2-(3-nitrophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one (PubChem CID 54520303) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 1-(2-ethylpiperidin-1-yl)-3-[2-(3-nitrophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-(2-ethylpiperidin-1-yl)-3-[2-(3-nitrophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one
PubChem CID54520303
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name1-(2-ethylpiperidin-1-yl)-3-[2-(3-nitrophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one
SMILESCCC1CCCCN1C(=O)C=Cc1c(-c2cccc([N+](=O)[O-])c2)nn2ccccc12
InChIInChI=1S/C23H24N4O3/c1-2-18-9-3-5-14-25(18)22(28)13-12-20-21-11-4-6-15-26(21)24-23(20)17-8-7-10-19(16-17)27(29)30/h4,6-8,10-13,15-16,18H,2-3,5,9,14H2,1H3
InChIKeyYPIKDZDZMTYOBK-UHFFFAOYSA-N
XLogP4.71
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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
methyl 2-[1-[3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]acetate
CID 54162177
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)-3-(4-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-en-1-one
CID 54044169
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
1-[(2R)-2-ethylpiperidin-1-yl]-2-[3-(3-nitrophenyl)-1,2,4-triazol-1-yl]ethanone
CID 95284329
(E)-1-(2-benzylpiperidin-1-yl)-3-(3-nitrophenyl)prop-2-en-1-one
CID 47091880
N-[(2R)-2-ethylpiperidine-1-carbothioyl]-3-nitrobenzamide
CID 886391
(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(2-ethylpiperidin-1-yl)prop-2-en-1-one
CID 134028246
(E,4R)-4-hydroxy-1-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-5-piperidin-1-ylpent-1-en-3-one
CID 68508258
(2R)-2-ethyl-1-(3-nitrophenyl)sulfonylpiperidine
CID 7324167

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidin-1-yl)-3-[2-(3-nitrophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one?
The IUPAC name of 1-(2-ethylpiperidin-1-yl)-3-[2-(3-nitrophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one (CID 54520303) is 1-(2-ethylpiperidin-1-yl)-3-[2-(3-nitrophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one.
What is the SMILES notation for 1-(2-ethylpiperidin-1-yl)-3-[2-(3-nitrophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one?
The canonical SMILES for 1-(2-ethylpiperidin-1-yl)-3-[2-(3-nitrophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one is CCC1CCCCN1C(=O)C=Cc1c(-c2cccc([N+](=O)[O-])c2)nn2ccccc12.
What is the InChIKey of 1-(2-ethylpiperidin-1-yl)-3-[2-(3-nitrophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one?
The InChIKey is YPIKDZDZMTYOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-2-18-9-3-5-14-25(18)22(28)13-12-20-21-11-4-6-15-26(21)24-23(20)17-8-7-10-19(16-17)27(29)30/h4,6-8,10-13,15-16,18H,2-3,5,9,14H2,1H3.
What are the key properties of 1-(2-ethylpiperidin-1-yl)-3-[2-(3-nitrophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one?
1-(2-ethylpiperidin-1-yl)-3-[2-(3-nitrophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one has a molecular weight of 404.47 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidin-1-yl)-3-[2-(3-nitrophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one is sourced from PubChem (CID 54520303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).