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

C18H23N5O2 — CID 118743325

IUPAC[6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1Cc2nccn2CC(COc2cccnc2)C1
InChIInChI=1S/C18H23N5O2/c24-18(21-7-1-2-8-21)23-12-15(11-22-9-6-20-17(22)13-23)14-25-16-4-3-5-19-10-16/h3-6,9-10,15H,1-2,7-8,11-14H2
InChIKeyNXWPLVJOKOHZOU-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.00
Rot. Bonds3

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

[6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-pyrrolidin-1-ylmethanone (PubChem CID 118743325) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is [6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-pyrrolidin-1-ylmethanone
PubChem CID118743325
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC Name[6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1Cc2nccn2CC(COc2cccnc2)C1
InChIInChI=1S/C18H23N5O2/c24-18(21-7-1-2-8-21)23-12-15(11-22-9-6-20-17(22)13-23)14-25-16-4-3-5-19-10-16/h3-6,9-10,15H,1-2,7-8,11-14H2
InChIKeyNXWPLVJOKOHZOU-UHFFFAOYSA-N
XLogP2.00
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-pyrrolidin-1-ylmethanone (CID 118743325) is [6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-pyrrolidin-1-ylmethanone is O=C(N1CCCC1)N1Cc2nccn2CC(COc2cccnc2)C1.
What is the InChIKey of [6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is NXWPLVJOKOHZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c24-18(21-7-1-2-8-21)23-12-15(11-22-9-6-20-17(22)13-23)14-25-16-4-3-5-19-10-16/h3-6,9-10,15H,1-2,7-8,11-14H2.
What are the key properties of [6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-pyrrolidin-1-ylmethanone?
[6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 341.41 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 118743325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).