methyl 2-[1-[3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]acetate

C24H25N3O3 — CID 54162177

IUPACmethyl 2-[1-[3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)C=Cc1c(-c2ccccc2)nn2ccccc12
InChIInChI=1S/C24H25N3O3/c1-30-23(29)17-19-11-5-7-15-26(19)22(28)14-13-20-21-12-6-8-16-27(21)25-24(20)18-9-3-2-4-10-18/h2-4,6,8-10,12-14,16,19H,5,7,11,15,17H2,1H3
InChIKeyOPESRHNSVRRBIS-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.96
Rot. Bonds5

About methyl 2-[1-[3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]acetate

methyl 2-[1-[3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]acetate (PubChem CID 54162177) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is methyl 2-[1-[3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]acetate
PubChem CID54162177
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Namemethyl 2-[1-[3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)C=Cc1c(-c2ccccc2)nn2ccccc12
InChIInChI=1S/C24H25N3O3/c1-30-23(29)17-19-11-5-7-15-26(19)22(28)14-13-20-21-12-6-8-16-27(21)25-24(20)18-9-3-2-4-10-18/h2-4,6,8-10,12-14,16,19H,5,7,11,15,17H2,1H3
InChIKeyOPESRHNSVRRBIS-UHFFFAOYSA-N
XLogP3.96
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-[3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]acetate (CID 54162177) is methyl 2-[1-[3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-[3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-[3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]acetate is COC(=O)CC1CCCCN1C(=O)C=Cc1c(-c2ccccc2)nn2ccccc12.
What is the InChIKey of methyl 2-[1-[3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]acetate?
The InChIKey is OPESRHNSVRRBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-30-23(29)17-19-11-5-7-15-26(19)22(28)14-13-20-21-12-6-8-16-27(21)25-24(20)18-9-3-2-4-10-18/h2-4,6,8-10,12-14,16,19H,5,7,11,15,17H2,1H3.
What are the key properties of methyl 2-[1-[3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]acetate?
methyl 2-[1-[3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]acetate has a molecular weight of 403.48 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]acetate is sourced from PubChem (CID 54162177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).