(E,4R)-4-hydroxy-1-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-5-piperidin-1-ylpent-1-en-3-one

C23H25N3O2 — CID 68508258

IUPAC(E,4R)-4-hydroxy-1-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-5-piperidin-1-ylpent-1-en-3-one
SMILESO=C(/C=C/c1c(-c2ccccc2)nn2ccccc12)[C@H](O)CN1CCCCC1
InChIInChI=1S/C23H25N3O2/c27-21(22(28)17-25-14-6-2-7-15-25)13-12-19-20-11-5-8-16-26(20)24-23(19)18-9-3-1-4-10-18/h1,3-5,8-13,16,22,28H,2,6-7,14-15,17H2/b13-12+/t22-/m1/s1
InChIKeyYUGSTXFYSZMJCJ-CHHLAKQQSA-N
MW375.47 g/mol
LogP3.43
Rot. Bonds6

About (E,4R)-4-hydroxy-1-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-5-piperidin-1-ylpent-1-en-3-one

(E,4R)-4-hydroxy-1-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-5-piperidin-1-ylpent-1-en-3-one (PubChem CID 68508258) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is (E,4R)-4-hydroxy-1-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-5-piperidin-1-ylpent-1-en-3-one.

Molecular Properties

Compound Name(E,4R)-4-hydroxy-1-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-5-piperidin-1-ylpent-1-en-3-one
PubChem CID68508258
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name(E,4R)-4-hydroxy-1-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-5-piperidin-1-ylpent-1-en-3-one
SMILESO=C(/C=C/c1c(-c2ccccc2)nn2ccccc12)[C@H](O)CN1CCCCC1
InChIInChI=1S/C23H25N3O2/c27-21(22(28)17-25-14-6-2-7-15-25)13-12-19-20-11-5-8-16-26(20)24-23(19)18-9-3-1-4-10-18/h1,3-5,8-13,16,22,28H,2,6-7,14-15,17H2/b13-12+/t22-/m1/s1
InChIKeyYUGSTXFYSZMJCJ-CHHLAKQQSA-N
XLogP3.43
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.43
H-Bond Donors ≤ 51
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 (E,4R)-4-hydroxy-1-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-5-piperidin-1-ylpent-1-en-3-one?
The IUPAC name of (E,4R)-4-hydroxy-1-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-5-piperidin-1-ylpent-1-en-3-one (CID 68508258) is (E,4R)-4-hydroxy-1-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-5-piperidin-1-ylpent-1-en-3-one.
What is the SMILES notation for (E,4R)-4-hydroxy-1-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-5-piperidin-1-ylpent-1-en-3-one?
The canonical SMILES for (E,4R)-4-hydroxy-1-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-5-piperidin-1-ylpent-1-en-3-one is O=C(/C=C/c1c(-c2ccccc2)nn2ccccc12)[C@H](O)CN1CCCCC1.
What is the InChIKey of (E,4R)-4-hydroxy-1-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-5-piperidin-1-ylpent-1-en-3-one?
The InChIKey is YUGSTXFYSZMJCJ-CHHLAKQQSA-N. The full InChI is InChI=1S/C23H25N3O2/c27-21(22(28)17-25-14-6-2-7-15-25)13-12-19-20-11-5-8-16-26(20)24-23(19)18-9-3-1-4-10-18/h1,3-5,8-13,16,22,28H,2,6-7,14-15,17H2/b13-12+/t22-/m1/s1.
What are the key properties of (E,4R)-4-hydroxy-1-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-5-piperidin-1-ylpent-1-en-3-one?
(E,4R)-4-hydroxy-1-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-5-piperidin-1-ylpent-1-en-3-one has a molecular weight of 375.47 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R)-4-hydroxy-1-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-5-piperidin-1-ylpent-1-en-3-one is sourced from PubChem (CID 68508258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).