3-[1-[6-(1-benzofuran-2-yl)pyrimidin-4-yl]piperidin-3-yl]-1-ethylimidazo[4,5-b]pyridin-2-one

C25H24N6O2 — CID 54581234

IUPAC3-[1-[6-(1-benzofuran-2-yl)pyrimidin-4-yl]piperidin-3-yl]-1-ethylimidazo[4,5-b]pyridin-2-one
SMILESCCn1c(=O)n(C2CCCN(c3cc(-c4cc5ccccc5o4)ncn3)C2)c2ncccc21
InChIInChI=1S/C25H24N6O2/c1-2-30-20-9-5-11-26-24(20)31(25(30)32)18-8-6-12-29(15-18)23-14-19(27-16-28-23)22-13-17-7-3-4-10-21(17)33-22/h3-5,7,9-11,13-14,16,18H,2,6,8,12,15H2,1H3
InChIKeyXOQXUCUTFBBSGW-UHFFFAOYSA-N
MW440.51 g/mol
LogP4.26
Rot. Bonds4

About 3-[1-[6-(1-benzofuran-2-yl)pyrimidin-4-yl]piperidin-3-yl]-1-ethylimidazo[4,5-b]pyridin-2-one

3-[1-[6-(1-benzofuran-2-yl)pyrimidin-4-yl]piperidin-3-yl]-1-ethylimidazo[4,5-b]pyridin-2-one (PubChem CID 54581234) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is 3-[1-[6-(1-benzofuran-2-yl)pyrimidin-4-yl]piperidin-3-yl]-1-ethylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-[1-[6-(1-benzofuran-2-yl)pyrimidin-4-yl]piperidin-3-yl]-1-ethylimidazo[4,5-b]pyridin-2-one
PubChem CID54581234
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC Name3-[1-[6-(1-benzofuran-2-yl)pyrimidin-4-yl]piperidin-3-yl]-1-ethylimidazo[4,5-b]pyridin-2-one
SMILESCCn1c(=O)n(C2CCCN(c3cc(-c4cc5ccccc5o4)ncn3)C2)c2ncccc21
InChIInChI=1S/C25H24N6O2/c1-2-30-20-9-5-11-26-24(20)31(25(30)32)18-8-6-12-29(15-18)23-14-19(27-16-28-23)22-13-17-7-3-4-10-21(17)33-22/h3-5,7,9-11,13-14,16,18H,2,6,8,12,15H2,1H3
InChIKeyXOQXUCUTFBBSGW-UHFFFAOYSA-N
XLogP4.26
TPSA81.98 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[6-(1-benzofuran-2-yl)pyrimidin-4-yl]piperidin-3-yl]-1-ethylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-[1-[6-(1-benzofuran-2-yl)pyrimidin-4-yl]piperidin-3-yl]-1-ethylimidazo[4,5-b]pyridin-2-one (CID 54581234) is 3-[1-[6-(1-benzofuran-2-yl)pyrimidin-4-yl]piperidin-3-yl]-1-ethylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-[1-[6-(1-benzofuran-2-yl)pyrimidin-4-yl]piperidin-3-yl]-1-ethylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-[1-[6-(1-benzofuran-2-yl)pyrimidin-4-yl]piperidin-3-yl]-1-ethylimidazo[4,5-b]pyridin-2-one is CCn1c(=O)n(C2CCCN(c3cc(-c4cc5ccccc5o4)ncn3)C2)c2ncccc21.
What is the InChIKey of 3-[1-[6-(1-benzofuran-2-yl)pyrimidin-4-yl]piperidin-3-yl]-1-ethylimidazo[4,5-b]pyridin-2-one?
The InChIKey is XOQXUCUTFBBSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2/c1-2-30-20-9-5-11-26-24(20)31(25(30)32)18-8-6-12-29(15-18)23-14-19(27-16-28-23)22-13-17-7-3-4-10-21(17)33-22/h3-5,7,9-11,13-14,16,18H,2,6,8,12,15H2,1H3.
What are the key properties of 3-[1-[6-(1-benzofuran-2-yl)pyrimidin-4-yl]piperidin-3-yl]-1-ethylimidazo[4,5-b]pyridin-2-one?
3-[1-[6-(1-benzofuran-2-yl)pyrimidin-4-yl]piperidin-3-yl]-1-ethylimidazo[4,5-b]pyridin-2-one has a molecular weight of 440.51 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[6-(1-benzofuran-2-yl)pyrimidin-4-yl]piperidin-3-yl]-1-ethylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 54581234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).