[3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-pyrazin-2-ylmethanone

C17H22N6O2 — CID 97467054

IUPAC[3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCc2ncc(CN3CCOCC3)n2CC1
InChIInChI=1S/C17H22N6O2/c24-17(15-12-18-2-3-19-15)22-4-1-16-20-11-14(23(16)6-5-22)13-21-7-9-25-10-8-21/h2-3,11-12H,1,4-10,13H2
InChIKeyHXIJADXNXLPTGB-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.20
Rot. Bonds3

About [3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-pyrazin-2-ylmethanone

[3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-pyrazin-2-ylmethanone (PubChem CID 97467054) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is [3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-pyrazin-2-ylmethanone
PubChem CID97467054
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name[3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCc2ncc(CN3CCOCC3)n2CC1
InChIInChI=1S/C17H22N6O2/c24-17(15-12-18-2-3-19-15)22-4-1-16-20-11-14(23(16)6-5-22)13-21-7-9-25-10-8-21/h2-3,11-12H,1,4-10,13H2
InChIKeyHXIJADXNXLPTGB-UHFFFAOYSA-N
XLogP0.20
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-pyrazin-2-ylmethanone (CID 97467054) is [3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCc2ncc(CN3CCOCC3)n2CC1.
What is the InChIKey of [3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-pyrazin-2-ylmethanone?
The InChIKey is HXIJADXNXLPTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c24-17(15-12-18-2-3-19-15)22-4-1-16-20-11-14(23(16)6-5-22)13-21-7-9-25-10-8-21/h2-3,11-12H,1,4-10,13H2.
What are the key properties of [3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-pyrazin-2-ylmethanone?
[3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-pyrazin-2-ylmethanone has a molecular weight of 342.40 g/mol, XLogP of 0.20, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 97467054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).