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

C22H24N4O2 — CID 154660496

IUPAC1-[4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]-methylamino]piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC(N(C)c2cc(-c3ccc(O)cc3)cn3cncc23)CC1
InChIInChI=1S/C22H24N4O2/c1-3-22(28)25-10-8-18(9-11-25)24(2)20-12-17(14-26-15-23-13-21(20)26)16-4-6-19(27)7-5-16/h3-7,12-15,18,27H,1,8-11H2,2H3
InChIKeyLNMZZYSAIRIMSG-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.32
Rot. Bonds4

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

1-[4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]-methylamino]piperidin-1-yl]prop-2-en-1-one (PubChem CID 154660496) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]-methylamino]piperidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]-methylamino]piperidin-1-yl]prop-2-en-1-one
PubChem CID154660496
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1-[4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]-methylamino]piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC(N(C)c2cc(-c3ccc(O)cc3)cn3cncc23)CC1
InChIInChI=1S/C22H24N4O2/c1-3-22(28)25-10-8-18(9-11-25)24(2)20-12-17(14-26-15-23-13-21(20)26)16-4-6-19(27)7-5-16/h3-7,12-15,18,27H,1,8-11H2,2H3
InChIKeyLNMZZYSAIRIMSG-UHFFFAOYSA-N
XLogP3.32
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.32
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]-methylamino]piperidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]-methylamino]piperidin-1-yl]prop-2-en-1-one (CID 154660496) is 1-[4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]-methylamino]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]-methylamino]piperidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]-methylamino]piperidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCC(N(C)c2cc(-c3ccc(O)cc3)cn3cncc23)CC1.
What is the InChIKey of 1-[4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]-methylamino]piperidin-1-yl]prop-2-en-1-one?
The InChIKey is LNMZZYSAIRIMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-3-22(28)25-10-8-18(9-11-25)24(2)20-12-17(14-26-15-23-13-21(20)26)16-4-6-19(27)7-5-16/h3-7,12-15,18,27H,1,8-11H2,2H3.
What are the key properties of 1-[4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]-methylamino]piperidin-1-yl]prop-2-en-1-one?
1-[4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]-methylamino]piperidin-1-yl]prop-2-en-1-one has a molecular weight of 376.46 g/mol, XLogP of 3.32, 4 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]-methylamino]piperidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 154660496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).