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

C19H17N3O2 — CID 44580505

IUPAC4'-(1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one
SMILESO=C1OC2(CCC(c3nc4ncccc4[nH]3)CC2)c2ccccc21
InChIInChI=1S/C19H17N3O2/c23-18-13-4-1-2-5-14(13)19(24-18)9-7-12(8-10-19)16-21-15-6-3-11-20-17(15)22-16/h1-6,11-12H,7-10H2,(H,20,21,22)
InChIKeyUSLMZJYYMQBCLK-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.68
Rot. Bonds1

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

4'-(1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one (PubChem CID 44580505) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 4'-(1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one.

Molecular Properties

Compound Name4'-(1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one
PubChem CID44580505
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name4'-(1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one
SMILESO=C1OC2(CCC(c3nc4ncccc4[nH]3)CC2)c2ccccc21
InChIInChI=1S/C19H17N3O2/c23-18-13-4-1-2-5-14(13)19(24-18)9-7-12(8-10-19)16-21-15-6-3-11-20-17(15)22-16/h1-6,11-12H,7-10H2,(H,20,21,22)
InChIKeyUSLMZJYYMQBCLK-UHFFFAOYSA-N
XLogP3.68
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4'-(1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one?
The IUPAC name of 4'-(1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one (CID 44580505) is 4'-(1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one.
What is the SMILES notation for 4'-(1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one?
The canonical SMILES for 4'-(1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one is O=C1OC2(CCC(c3nc4ncccc4[nH]3)CC2)c2ccccc21.
What is the InChIKey of 4'-(1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one?
The InChIKey is USLMZJYYMQBCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c23-18-13-4-1-2-5-14(13)19(24-18)9-7-12(8-10-19)16-21-15-6-3-11-20-17(15)22-16/h1-6,11-12H,7-10H2,(H,20,21,22).
What are the key properties of 4'-(1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one?
4'-(1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one has a molecular weight of 319.36 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-(1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one is sourced from PubChem (CID 44580505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).