1'-(1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one

C18H16N4O2 — CID 44580503

IUPAC1'-(1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCN(c3nc4ncccc4[nH]3)CC2)c2ccccc21
InChIInChI=1S/C18H16N4O2/c23-16-12-4-1-2-5-13(12)18(24-16)7-10-22(11-8-18)17-20-14-6-3-9-19-15(14)21-17/h1-6,9H,7-8,10-11H2,(H,19,20,21)
InChIKeyHGIKLJRULHRHFD-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.62
Rot. Bonds1

About 1'-(1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one

1'-(1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 44580503) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 1'-(1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name1'-(1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
PubChem CID44580503
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name1'-(1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCN(c3nc4ncccc4[nH]3)CC2)c2ccccc21
InChIInChI=1S/C18H16N4O2/c23-16-12-4-1-2-5-13(12)18(24-16)7-10-22(11-8-18)17-20-14-6-3-9-19-15(14)21-17/h1-6,9H,7-8,10-11H2,(H,19,20,21)
InChIKeyHGIKLJRULHRHFD-UHFFFAOYSA-N
XLogP2.62
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-(1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The IUPAC name of 1'-(1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one (CID 44580503) is 1'-(1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one.
What is the SMILES notation for 1'-(1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The canonical SMILES for 1'-(1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one is O=C1OC2(CCN(c3nc4ncccc4[nH]3)CC2)c2ccccc21.
What is the InChIKey of 1'-(1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The InChIKey is HGIKLJRULHRHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c23-16-12-4-1-2-5-13(12)18(24-16)7-10-22(11-8-18)17-20-14-6-3-9-19-15(14)21-17/h1-6,9H,7-8,10-11H2,(H,19,20,21).
What are the key properties of 1'-(1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
1'-(1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 320.35 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 44580503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).