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

C25H27N3O3 — CID 19092455

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

2-[1-[(E)-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]ethyl acetate (PubChem CID 19092455) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-[1-[(E)-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]ethyl acetate.

Molecular Properties

• Compound Name: 2-[1-[(E)-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]ethyl acetate
• PubChem CID: 19092455
• Molecular Formula: C25H27N3O3
• Molecular Weight: 417.51 g/mol
• Exact Mass: 417.21
• IUPAC Name: 2-[1-[(E)-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]ethyl acetate
• SMILES: CC(=O)OCCC1CCCCN1C(=O)/C=C/c1c(-c2ccccc2)nn2ccccc12
• InChI: InChI=1S/C25H27N3O3/c1-19(29)31-18-15-21-11-5-7-16-27(21)24(30)14-13-22-23-12-6-8-17-28(23)26-25(22)20-9-3-2-4-10-20/h2-4,6,8-10,12-14,17,21H,5,7,11,15-16,18H2,1H3/b14-13+
• InChIKey: XRMVRJVPONDAID-BUHFOSPRSA-N
• XLogP: 4.35
• TPSA: 63.91 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.51
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(E)-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]ethyl acetate?

The IUPAC name of 2-[1-[(E)-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]ethyl acetate (CID 19092455) is 2-[1-[(E)-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]ethyl acetate.

What is the SMILES notation for 2-[1-[(E)-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]ethyl acetate?

The canonical SMILES for 2-[1-[(E)-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]ethyl acetate is CC(=O)OCCC1CCCCN1C(=O)/C=C/c1c(-c2ccccc2)nn2ccccc12.

What is the InChIKey of 2-[1-[(E)-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]ethyl acetate?

The InChIKey is XRMVRJVPONDAID-BUHFOSPRSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-19(29)31-18-15-21-11-5-7-16-27(21)24(30)14-13-22-23-12-6-8-17-28(23)26-25(22)20-9-3-2-4-10-20/h2-4,6,8-10,12-14,17,21H,5,7,11,15-16,18H2,1H3/b14-13+.

What are the key properties of 2-[1-[(E)-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]ethyl acetate?

2-[1-[(E)-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]ethyl acetate has a molecular weight of 417.51 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[(E)-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]ethyl acetate is sourced from PubChem (CID 19092455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).