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

C₂₂H₂₄N₄O₂ — CID 154660496

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 Name: 1-[4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]-methylamino]piperidin-1-yl]prop-2-en-1-one
• PubChem CID: 154660496
• Molecular Formula: C₂₂H₂₄N₄O₂
• Molecular Weight: 376.46 g/mol
• Exact Mass: 376.19
• IUPAC Name: 1-[4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]-methylamino]piperidin-1-yl]prop-2-en-1-one
• SMILES: C=CC(=O)N1CCC(N(C)c2cc(-c3ccc(O)cc3)cn3cncc23)CC1
• InChI: 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
• InChIKey: LNMZZYSAIRIMSG-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 61.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.46
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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).

Sources

• PubChem CID 154660496 — identifiers, structure, computed properties (public domain)

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