1-(azepan-4-yl)-3H-imidazo[4,5-b]pyridin-2-one

C12H16N4O — CID 170742162

IUPAC1-(azepan-4-yl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ncccc2n1C1CCCNCC1
InChIInChI=1S/C12H16N4O/c17-12-15-11-10(4-2-7-14-11)16(12)9-3-1-6-13-8-5-9/h2,4,7,9,13H,1,3,5-6,8H2,(H,14,15,17)
InChIKeyIQNZSIGAXYRAJZ-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.04
Rot. Bonds1

About 1-(azepan-4-yl)-3H-imidazo[4,5-b]pyridin-2-one

1-(azepan-4-yl)-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 170742162) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-(azepan-4-yl)-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-(azepan-4-yl)-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID170742162
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name1-(azepan-4-yl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ncccc2n1C1CCCNCC1
InChIInChI=1S/C12H16N4O/c17-12-15-11-10(4-2-7-14-11)16(12)9-3-1-6-13-8-5-9/h2,4,7,9,13H,1,3,5-6,8H2,(H,14,15,17)
InChIKeyIQNZSIGAXYRAJZ-UHFFFAOYSA-N
XLogP1.04
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(azepan-4-yl)-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-(azepan-4-yl)-3H-imidazo[4,5-b]pyridin-2-one (CID 170742162) is 1-(azepan-4-yl)-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-(azepan-4-yl)-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-(azepan-4-yl)-3H-imidazo[4,5-b]pyridin-2-one is O=c1[nH]c2ncccc2n1C1CCCNCC1.
What is the InChIKey of 1-(azepan-4-yl)-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is IQNZSIGAXYRAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c17-12-15-11-10(4-2-7-14-11)16(12)9-3-1-6-13-8-5-9/h2,4,7,9,13H,1,3,5-6,8H2,(H,14,15,17).
What are the key properties of 1-(azepan-4-yl)-3H-imidazo[4,5-b]pyridin-2-one?
1-(azepan-4-yl)-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 232.29 g/mol, XLogP of 1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-4-yl)-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 170742162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).