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

C17H26N4O3 — CID 97390212

IUPAC[3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-[(2R)-oxolan-2-yl]methanone
SMILESO=C([C@H]1CCCO1)N1CCc2ncc(CN3CCOCC3)n2CC1
InChIInChI=1S/C17H26N4O3/c22-17(15-2-1-9-24-15)20-4-3-16-18-12-14(21(16)6-5-20)13-19-7-10-23-11-8-19/h12,15H,1-11,13H2/t15-/m1/s1
InChIKeyWZMIMXJSRSUSEG-OAHLLOKOSA-N
MW334.42 g/mol
LogP0.28
Rot. Bonds3

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

[3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-[(2R)-oxolan-2-yl]methanone (PubChem CID 97390212) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is [3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-[(2R)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-[(2R)-oxolan-2-yl]methanone
PubChem CID97390212
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name[3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-[(2R)-oxolan-2-yl]methanone
SMILESO=C([C@H]1CCCO1)N1CCc2ncc(CN3CCOCC3)n2CC1
InChIInChI=1S/C17H26N4O3/c22-17(15-2-1-9-24-15)20-4-3-16-18-12-14(21(16)6-5-20)13-19-7-10-23-11-8-19/h12,15H,1-11,13H2/t15-/m1/s1
InChIKeyWZMIMXJSRSUSEG-OAHLLOKOSA-N
XLogP0.28
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-[(2R)-oxolan-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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]-[(2R)-oxolan-2-yl]methanone?
The IUPAC name of [3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-[(2R)-oxolan-2-yl]methanone (CID 97390212) is [3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-[(2R)-oxolan-2-yl]methanone.
What is the SMILES notation for [3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-[(2R)-oxolan-2-yl]methanone?
The canonical SMILES for [3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-[(2R)-oxolan-2-yl]methanone is O=C([C@H]1CCCO1)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]-[(2R)-oxolan-2-yl]methanone?
The InChIKey is WZMIMXJSRSUSEG-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H26N4O3/c22-17(15-2-1-9-24-15)20-4-3-16-18-12-14(21(16)6-5-20)13-19-7-10-23-11-8-19/h12,15H,1-11,13H2/t15-/m1/s1.
What are the key properties of [3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-[(2R)-oxolan-2-yl]methanone?
[3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-[(2R)-oxolan-2-yl]methanone has a molecular weight of 334.42 g/mol, XLogP of 0.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 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]-[(2R)-oxolan-2-yl]methanone is sourced from PubChem (CID 97390212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).