2-[(2R)-1-[(E)-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]acetic acid

C23H23N3O3 — CID 6442241

IUPAC2-[(2R)-1-[(E)-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]acetic acid
SMILESO=C(O)C[C@H]1CCCCN1C(=O)/C=C/c1c(-c2ccccc2)nn2ccccc12
InChIInChI=1S/C23H23N3O3/c27-21(25-14-6-4-10-18(25)16-22(28)29)13-12-19-20-11-5-7-15-26(20)24-23(19)17-8-2-1-3-9-17/h1-3,5,7-9,11-13,15,18H,4,6,10,14,16H2,(H,28,29)/b13-12+/t18-/m1/s1
InChIKeyUWTYIJJJSYDUQM-QFQMRYFISA-N
MW389.46 g/mol
LogP3.87
Rot. Bonds5

About 2-[(2R)-1-[(E)-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]acetic acid

2-[(2R)-1-[(E)-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]acetic acid (PubChem CID 6442241) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-[(2R)-1-[(E)-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-1-[(E)-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]acetic acid
PubChem CID6442241
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name2-[(2R)-1-[(E)-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]acetic acid
SMILESO=C(O)C[C@H]1CCCCN1C(=O)/C=C/c1c(-c2ccccc2)nn2ccccc12
InChIInChI=1S/C23H23N3O3/c27-21(25-14-6-4-10-18(25)16-22(28)29)13-12-19-20-11-5-7-15-26(20)24-23(19)17-8-2-1-3-9-17/h1-3,5,7-9,11-13,15,18H,4,6,10,14,16H2,(H,28,29)/b13-12+/t18-/m1/s1
InChIKeyUWTYIJJJSYDUQM-QFQMRYFISA-N
XLogP3.87
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-[(2R)-1-[(E)-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-1-[(E)-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]acetic acid (CID 6442241) is 2-[(2R)-1-[(E)-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-1-[(E)-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-1-[(E)-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]acetic acid is O=C(O)C[C@H]1CCCCN1C(=O)/C=C/c1c(-c2ccccc2)nn2ccccc12.
What is the InChIKey of 2-[(2R)-1-[(E)-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]acetic acid?
The InChIKey is UWTYIJJJSYDUQM-QFQMRYFISA-N. The full InChI is InChI=1S/C23H23N3O3/c27-21(25-14-6-4-10-18(25)16-22(28)29)13-12-19-20-11-5-7-15-26(20)24-23(19)17-8-2-1-3-9-17/h1-3,5,7-9,11-13,15,18H,4,6,10,14,16H2,(H,28,29)/b13-12+/t18-/m1/s1.
What are the key properties of 2-[(2R)-1-[(E)-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]acetic acid?
2-[(2R)-1-[(E)-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]acetic acid has a molecular weight of 389.46 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[(E)-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 6442241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).