8-methylsulfonyl-6-(pyridin-2-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine

C15H20N4O3S — CID 134069034

IUPAC8-methylsulfonyl-6-(pyridin-2-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
SMILESCS(=O)(=O)N1Cc2nccn2CC(COCc2ccccn2)C1
InChIInChI=1S/C15H20N4O3S/c1-23(20,21)19-9-13(8-18-7-6-17-15(18)10-19)11-22-12-14-4-2-3-5-16-14/h2-7,13H,8-12H2,1H3
InChIKeyGZRAIWMUWSBLBB-UHFFFAOYSA-N
MW336.42 g/mol
LogP0.89
Rot. Bonds5

About 8-methylsulfonyl-6-(pyridin-2-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine

8-methylsulfonyl-6-(pyridin-2-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine (PubChem CID 134069034) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 8-methylsulfonyl-6-(pyridin-2-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine.

Molecular Properties

Compound Name8-methylsulfonyl-6-(pyridin-2-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
PubChem CID134069034
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name8-methylsulfonyl-6-(pyridin-2-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
SMILESCS(=O)(=O)N1Cc2nccn2CC(COCc2ccccn2)C1
InChIInChI=1S/C15H20N4O3S/c1-23(20,21)19-9-13(8-18-7-6-17-15(18)10-19)11-22-12-14-4-2-3-5-16-14/h2-7,13H,8-12H2,1H3
InChIKeyGZRAIWMUWSBLBB-UHFFFAOYSA-N
XLogP0.89
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-6-(pyridin-2-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide
CID 131659172
(6S)-8-[(1-methylpyrazol-4-yl)methyl]-6-(pyridin-2-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 97381815
(6R)-8-(benzenesulfonyl)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 97462213
(6S)-6-(methoxymethyl)-8-(pyridin-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 97381728
(6R)-6-(ethoxymethyl)-8-(3-methylphenyl)sulfonyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 97462257
8-(4-fluorophenyl)sulfonyl-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 131654793
(6R)-8-(4-fluorophenyl)sulfonyl-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 97462215
1-[6-(pyridin-2-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone
CID 131663263
8-cyclopropylsulfonyl-6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 131660169
2-[(8-ethylsulfonyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]pyridazin-3-one
CID 131658566
2-[[(6R)-8-ethylsulfonyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one
CID 97463181
1-[6-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone
CID 134069031

Frequently Asked Questions

What is the IUPAC name of 8-methylsulfonyl-6-(pyridin-2-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine?
The IUPAC name of 8-methylsulfonyl-6-(pyridin-2-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine (CID 134069034) is 8-methylsulfonyl-6-(pyridin-2-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine.
What is the SMILES notation for 8-methylsulfonyl-6-(pyridin-2-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine?
The canonical SMILES for 8-methylsulfonyl-6-(pyridin-2-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine is CS(=O)(=O)N1Cc2nccn2CC(COCc2ccccn2)C1.
What is the InChIKey of 8-methylsulfonyl-6-(pyridin-2-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine?
The InChIKey is GZRAIWMUWSBLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-23(20,21)19-9-13(8-18-7-6-17-15(18)10-19)11-22-12-14-4-2-3-5-16-14/h2-7,13H,8-12H2,1H3.
What are the key properties of 8-methylsulfonyl-6-(pyridin-2-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine?
8-methylsulfonyl-6-(pyridin-2-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine has a molecular weight of 336.42 g/mol, XLogP of 0.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylsulfonyl-6-(pyridin-2-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine is sourced from PubChem (CID 134069034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).