1-[4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]piperidin-1-yl]prop-2-en-1-one

C22H23N3O3 — CID 154605080

IUPAC1-[4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC(COc2cc(-c3ccc(O)cc3)cn3cncc23)CC1
InChIInChI=1S/C22H23N3O3/c1-2-22(27)24-9-7-16(8-10-24)14-28-21-11-18(13-25-15-23-12-20(21)25)17-3-5-19(26)6-4-17/h2-6,11-13,15-16,26H,1,7-10,14H2
InChIKeyUEFJDEPPPRWNIO-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.51
Rot. Bonds5

About 1-[4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]piperidin-1-yl]prop-2-en-1-one

1-[4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]piperidin-1-yl]prop-2-en-1-one (PubChem CID 154605080) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-[4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]piperidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]piperidin-1-yl]prop-2-en-1-one
PubChem CID154605080
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name1-[4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC(COc2cc(-c3ccc(O)cc3)cn3cncc23)CC1
InChIInChI=1S/C22H23N3O3/c1-2-22(27)24-9-7-16(8-10-24)14-28-21-11-18(13-25-15-23-12-20(21)25)17-3-5-19(26)6-4-17/h2-6,11-13,15-16,26H,1,7-10,14H2
InChIKeyUEFJDEPPPRWNIO-UHFFFAOYSA-N
XLogP3.51
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.51
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-[4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]piperidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]piperidin-1-yl]prop-2-en-1-one (CID 154605080) is 1-[4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]piperidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]piperidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]piperidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCC(COc2cc(-c3ccc(O)cc3)cn3cncc23)CC1.
What is the InChIKey of 1-[4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]piperidin-1-yl]prop-2-en-1-one?
The InChIKey is UEFJDEPPPRWNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-2-22(27)24-9-7-16(8-10-24)14-28-21-11-18(13-25-15-23-12-20(21)25)17-3-5-19(26)6-4-17/h2-6,11-13,15-16,26H,1,7-10,14H2.
What are the key properties of 1-[4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]piperidin-1-yl]prop-2-en-1-one?
1-[4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]piperidin-1-yl]prop-2-en-1-one has a molecular weight of 377.44 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]piperidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 154605080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).