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

C23H24ClN3O — CID 54438419

IUPAC3-(4-chloro-2-phenylpyrazolo[1,5-a]pyridin-5-yl)-1-(2-ethylpiperidin-1-yl)prop-2-en-1-one
SMILESCCC1CCCCN1C(=O)C=Cc1ccn2nc(-c3ccccc3)cc2c1Cl
InChIInChI=1S/C23H24ClN3O/c1-2-19-10-6-7-14-26(19)22(28)12-11-18-13-15-27-21(23(18)24)16-20(25-27)17-8-4-3-5-9-17/h3-5,8-9,11-13,15-16,19H,2,6-7,10,14H2,1H3
InChIKeyWMJHJSKSZNWXFW-UHFFFAOYSA-N
MW393.92 g/mol
LogP5.46
Rot. Bonds4

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

3-(4-chloro-2-phenylpyrazolo[1,5-a]pyridin-5-yl)-1-(2-ethylpiperidin-1-yl)prop-2-en-1-one (PubChem CID 54438419) has the molecular formula C23H24ClN3O and a molecular weight of 393.92 g/mol. Its IUPAC name is 3-(4-chloro-2-phenylpyrazolo[1,5-a]pyridin-5-yl)-1-(2-ethylpiperidin-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(4-chloro-2-phenylpyrazolo[1,5-a]pyridin-5-yl)-1-(2-ethylpiperidin-1-yl)prop-2-en-1-one
PubChem CID54438419
Molecular FormulaC23H24ClN3O
Molecular Weight393.92 g/mol
Exact Mass393.16
IUPAC Name3-(4-chloro-2-phenylpyrazolo[1,5-a]pyridin-5-yl)-1-(2-ethylpiperidin-1-yl)prop-2-en-1-one
SMILESCCC1CCCCN1C(=O)C=Cc1ccn2nc(-c3ccccc3)cc2c1Cl
InChIInChI=1S/C23H24ClN3O/c1-2-19-10-6-7-14-26(19)22(28)12-11-18-13-15-27-21(23(18)24)16-20(25-27)17-8-4-3-5-9-17/h3-5,8-9,11-13,15-16,19H,2,6-7,10,14H2,1H3
InChIKeyWMJHJSKSZNWXFW-UHFFFAOYSA-N
XLogP5.46
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.92
LogP ≤ 55.46
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

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)-3-[2-(3-nitrophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one
CID 54520303
(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(2-ethylpiperidin-1-yl)prop-2-en-1-one
CID 134028246
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)-1-(2-ethylpiperidin-1-yl)-3-thiophen-2-ylprop-2-en-1-one
CID 6048868
methyl 2-[1-[3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]acetate
CID 54162177
2-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one
CID 94182934
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
(E)-1-(2-ethylpiperidin-1-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 134028254
(E)-3-(3-aminophenyl)-1-(2-ethylpyrrolidin-1-yl)prop-2-en-1-one
CID 113290869
2-[1-[(E)-3-(2-bromophenyl)prop-2-enoyl]piperidin-2-yl]acetic acid
CID 61009679

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-phenylpyrazolo[1,5-a]pyridin-5-yl)-1-(2-ethylpiperidin-1-yl)prop-2-en-1-one?
The IUPAC name of 3-(4-chloro-2-phenylpyrazolo[1,5-a]pyridin-5-yl)-1-(2-ethylpiperidin-1-yl)prop-2-en-1-one (CID 54438419) is 3-(4-chloro-2-phenylpyrazolo[1,5-a]pyridin-5-yl)-1-(2-ethylpiperidin-1-yl)prop-2-en-1-one.
What is the SMILES notation for 3-(4-chloro-2-phenylpyrazolo[1,5-a]pyridin-5-yl)-1-(2-ethylpiperidin-1-yl)prop-2-en-1-one?
The canonical SMILES for 3-(4-chloro-2-phenylpyrazolo[1,5-a]pyridin-5-yl)-1-(2-ethylpiperidin-1-yl)prop-2-en-1-one is CCC1CCCCN1C(=O)C=Cc1ccn2nc(-c3ccccc3)cc2c1Cl.
What is the InChIKey of 3-(4-chloro-2-phenylpyrazolo[1,5-a]pyridin-5-yl)-1-(2-ethylpiperidin-1-yl)prop-2-en-1-one?
The InChIKey is WMJHJSKSZNWXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O/c1-2-19-10-6-7-14-26(19)22(28)12-11-18-13-15-27-21(23(18)24)16-20(25-27)17-8-4-3-5-9-17/h3-5,8-9,11-13,15-16,19H,2,6-7,10,14H2,1H3.
What are the key properties of 3-(4-chloro-2-phenylpyrazolo[1,5-a]pyridin-5-yl)-1-(2-ethylpiperidin-1-yl)prop-2-en-1-one?
3-(4-chloro-2-phenylpyrazolo[1,5-a]pyridin-5-yl)-1-(2-ethylpiperidin-1-yl)prop-2-en-1-one has a molecular weight of 393.92 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-phenylpyrazolo[1,5-a]pyridin-5-yl)-1-(2-ethylpiperidin-1-yl)prop-2-en-1-one is sourced from PubChem (CID 54438419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).