1-[(2S,4R)-4-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxy-2-methylpiperidin-1-yl]prop-2-en-1-one

C22H23N3O3 — CID 154605121

IUPAC1-[(2S,4R)-4-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxy-2-methylpiperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CC[C@@H](Oc2cc(-c3ccc(O)cc3)cn3cncc23)C[C@@H]1C
InChIInChI=1S/C22H23N3O3/c1-3-22(27)25-9-8-19(10-15(25)2)28-21-11-17(13-24-14-23-12-20(21)24)16-4-6-18(26)7-5-16/h3-7,11-15,19,26H,1,8-10H2,2H3/t15-,19+/m0/s1
InChIKeyCFIRTRVEXIZQLT-HNAYVOBHSA-N
MW377.44 g/mol
LogP3.65
Rot. Bonds4

About 1-[(2S,4R)-4-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxy-2-methylpiperidin-1-yl]prop-2-en-1-one

1-[(2S,4R)-4-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxy-2-methylpiperidin-1-yl]prop-2-en-1-one (PubChem CID 154605121) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-[(2S,4R)-4-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxy-2-methylpiperidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[(2S,4R)-4-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxy-2-methylpiperidin-1-yl]prop-2-en-1-one
PubChem CID154605121
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name1-[(2S,4R)-4-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxy-2-methylpiperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CC[C@@H](Oc2cc(-c3ccc(O)cc3)cn3cncc23)C[C@@H]1C
InChIInChI=1S/C22H23N3O3/c1-3-22(27)25-9-8-19(10-15(25)2)28-21-11-17(13-24-14-23-12-20(21)24)16-4-6-18(26)7-5-16/h3-7,11-15,19,26H,1,8-10H2,2H3/t15-,19+/m0/s1
InChIKeyCFIRTRVEXIZQLT-HNAYVOBHSA-N
XLogP3.65
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.65
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 1-[(2S,4R)-4-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxy-2-methylpiperidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[(2S,4R)-4-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxy-2-methylpiperidin-1-yl]prop-2-en-1-one (CID 154605121) is 1-[(2S,4R)-4-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxy-2-methylpiperidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[(2S,4R)-4-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxy-2-methylpiperidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[(2S,4R)-4-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxy-2-methylpiperidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CC[C@@H](Oc2cc(-c3ccc(O)cc3)cn3cncc23)C[C@@H]1C.
What is the InChIKey of 1-[(2S,4R)-4-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxy-2-methylpiperidin-1-yl]prop-2-en-1-one?
The InChIKey is CFIRTRVEXIZQLT-HNAYVOBHSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-3-22(27)25-9-8-19(10-15(25)2)28-21-11-17(13-24-14-23-12-20(21)24)16-4-6-18(26)7-5-16/h3-7,11-15,19,26H,1,8-10H2,2H3/t15-,19+/m0/s1.
What are the key properties of 1-[(2S,4R)-4-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxy-2-methylpiperidin-1-yl]prop-2-en-1-one?
1-[(2S,4R)-4-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxy-2-methylpiperidin-1-yl]prop-2-en-1-one has a molecular weight of 377.44 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4R)-4-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxy-2-methylpiperidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 154605121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).