2-cyclopropyl-1-[6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone

C18H22N4O2 — CID 118739328

IUPAC2-cyclopropyl-1-[6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone
SMILESO=C(CC1CC1)N1Cc2nccn2CC(COc2cccnc2)C1
InChIInChI=1S/C18H22N4O2/c23-18(8-14-3-4-14)22-11-15(10-21-7-6-20-17(21)12-22)13-24-16-2-1-5-19-9-16/h1-2,5-7,9,14-15H,3-4,8,10-13H2
InChIKeySUZGUWSZGGFGQH-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.12
Rot. Bonds5

About 2-cyclopropyl-1-[6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone

2-cyclopropyl-1-[6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone (PubChem CID 118739328) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-cyclopropyl-1-[6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone
PubChem CID118739328
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name2-cyclopropyl-1-[6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone
SMILESO=C(CC1CC1)N1Cc2nccn2CC(COc2cccnc2)C1
InChIInChI=1S/C18H22N4O2/c23-18(8-14-3-4-14)22-11-15(10-21-7-6-20-17(21)12-22)13-24-16-2-1-5-19-9-16/h1-2,5-7,9,14-15H,3-4,8,10-13H2
InChIKeySUZGUWSZGGFGQH-UHFFFAOYSA-N
XLogP2.12
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone (CID 118739328) is 2-cyclopropyl-1-[6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone is O=C(CC1CC1)N1Cc2nccn2CC(COc2cccnc2)C1.
What is the InChIKey of 2-cyclopropyl-1-[6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone?
The InChIKey is SUZGUWSZGGFGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-18(8-14-3-4-14)22-11-15(10-21-7-6-20-17(21)12-22)13-24-16-2-1-5-19-9-16/h1-2,5-7,9,14-15H,3-4,8,10-13H2.
What are the key properties of 2-cyclopropyl-1-[6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone?
2-cyclopropyl-1-[6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone has a molecular weight of 326.40 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone is sourced from PubChem (CID 118739328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).