methyl (E)-3-[4-[(2S)-1-(2-pyrazolo[1,5-a]pyridin-3-ylethyl)piperidin-2-yl]phenyl]prop-2-enoate

C24H27N3O2 — CID 67159205

IUPACmethyl (E)-3-[4-[(2S)-1-(2-pyrazolo[1,5-a]pyridin-3-ylethyl)piperidin-2-yl]phenyl]prop-2-enoate
SMILESCOC(=O)/C=C/c1ccc([C@@H]2CCCCN2CCc2cnn3ccccc23)cc1
InChIInChI=1S/C24H27N3O2/c1-29-24(28)13-10-19-8-11-20(12-9-19)22-6-2-4-15-26(22)17-14-21-18-25-27-16-5-3-7-23(21)27/h3,5,7-13,16,18,22H,2,4,6,14-15,17H2,1H3/b13-10+/t22-/m0/s1
InChIKeyJEERUVFLNJUHMD-FLSMSTFGSA-N
MW389.50 g/mol
LogP4.29
Rot. Bonds6

About methyl (E)-3-[4-[(2S)-1-(2-pyrazolo[1,5-a]pyridin-3-ylethyl)piperidin-2-yl]phenyl]prop-2-enoate

methyl (E)-3-[4-[(2S)-1-(2-pyrazolo[1,5-a]pyridin-3-ylethyl)piperidin-2-yl]phenyl]prop-2-enoate (PubChem CID 67159205) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is methyl (E)-3-[4-[(2S)-1-(2-pyrazolo[1,5-a]pyridin-3-ylethyl)piperidin-2-yl]phenyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[4-[(2S)-1-(2-pyrazolo[1,5-a]pyridin-3-ylethyl)piperidin-2-yl]phenyl]prop-2-enoate
PubChem CID67159205
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Namemethyl (E)-3-[4-[(2S)-1-(2-pyrazolo[1,5-a]pyridin-3-ylethyl)piperidin-2-yl]phenyl]prop-2-enoate
SMILESCOC(=O)/C=C/c1ccc([C@@H]2CCCCN2CCc2cnn3ccccc23)cc1
InChIInChI=1S/C24H27N3O2/c1-29-24(28)13-10-19-8-11-20(12-9-19)22-6-2-4-15-26(22)17-14-21-18-25-27-16-5-3-7-23(21)27/h3,5,7-13,16,18,22H,2,4,6,14-15,17H2,1H3/b13-10+/t22-/m0/s1
InChIKeyJEERUVFLNJUHMD-FLSMSTFGSA-N
XLogP4.29
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl (E)-3-[4-[(2S)-1-(2-pyrazolo[1,5-a]pyridin-3-ylethyl)piperidin-2-yl]phenyl]prop-2-enoate 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

(E)-N-hydroxy-3-[4-[1-(2-pyrazolo[1,5-a]pyridin-3-ylethyl)pyrrolidin-2-yl]phenyl]prop-2-enamide
CID 87290634
methyl (E)-3-[3-fluoro-4-[(2S)-1-(2-pyrazolo[1,5-a]pyridin-3-ylethyl)pyrrolidin-2-yl]phenyl]prop-2-enoate
CID 67158445
methyl (E)-3-[4-[1-[2-(2,4-dichlorophenyl)ethyl]pyrrolidin-2-yl]phenyl]prop-2-enoate
CID 68632217
methyl 3-[4-(1-but-3-ynylpyrrolidin-2-yl)phenyl]prop-2-enoate
CID 76728697
methyl 3-[4-[1-(3-methylbutyl)pyrrolidin-2-yl]phenyl]prop-2-enoate
CID 67158837
methyl 3-[4-[1-[2-(4-nitrophenyl)ethyl]pyrrolidin-2-yl]phenyl]prop-2-enoate
CID 67158408
methyl (E)-3-[4-[(2S)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrrolidin-2-yl]phenyl]prop-2-enoate
CID 67158856
methyl 3-[4-[(2S)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrrolidin-2-yl]phenyl]prop-2-enoate
CID 67158858
N-hydroxy-3-[4-[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]phenyl]prop-2-enamide
CID 74960087
methyl 3-[4-[(2S)-1-[2-[2-(5-methyl-1,2-oxazol-3-yl)-1H-indol-3-yl]ethyl]pyrrolidin-2-yl]phenyl]prop-2-enoate
CID 173050142
N-hydroxy-3-[4-[1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]phenyl]prop-2-enamide
CID 74959589
3-[4-[(2S)-1-[2-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 91470771

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[4-[(2S)-1-(2-pyrazolo[1,5-a]pyridin-3-ylethyl)piperidin-2-yl]phenyl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[4-[(2S)-1-(2-pyrazolo[1,5-a]pyridin-3-ylethyl)piperidin-2-yl]phenyl]prop-2-enoate (CID 67159205) is methyl (E)-3-[4-[(2S)-1-(2-pyrazolo[1,5-a]pyridin-3-ylethyl)piperidin-2-yl]phenyl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[4-[(2S)-1-(2-pyrazolo[1,5-a]pyridin-3-ylethyl)piperidin-2-yl]phenyl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[4-[(2S)-1-(2-pyrazolo[1,5-a]pyridin-3-ylethyl)piperidin-2-yl]phenyl]prop-2-enoate is COC(=O)/C=C/c1ccc([C@@H]2CCCCN2CCc2cnn3ccccc23)cc1.
What is the InChIKey of methyl (E)-3-[4-[(2S)-1-(2-pyrazolo[1,5-a]pyridin-3-ylethyl)piperidin-2-yl]phenyl]prop-2-enoate?
The InChIKey is JEERUVFLNJUHMD-FLSMSTFGSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-29-24(28)13-10-19-8-11-20(12-9-19)22-6-2-4-15-26(22)17-14-21-18-25-27-16-5-3-7-23(21)27/h3,5,7-13,16,18,22H,2,4,6,14-15,17H2,1H3/b13-10+/t22-/m0/s1.
What are the key properties of methyl (E)-3-[4-[(2S)-1-(2-pyrazolo[1,5-a]pyridin-3-ylethyl)piperidin-2-yl]phenyl]prop-2-enoate?
methyl (E)-3-[4-[(2S)-1-(2-pyrazolo[1,5-a]pyridin-3-ylethyl)piperidin-2-yl]phenyl]prop-2-enoate has a molecular weight of 389.50 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[4-[(2S)-1-(2-pyrazolo[1,5-a]pyridin-3-ylethyl)piperidin-2-yl]phenyl]prop-2-enoate is sourced from PubChem (CID 67159205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).