(6R)-8-[(5-methylfuran-2-yl)methyl]-6-(pyridin-2-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine

C20H24N4O2 — CID 97477287

IUPAC(6R)-8-[(5-methylfuran-2-yl)methyl]-6-(pyridin-2-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
SMILESCc1ccc(CN2Cc3cncn3C[C@H](COCc3ccccn3)C2)o1
InChIInChI=1S/C20H24N4O2/c1-16-5-6-20(26-16)12-23-9-17(10-24-15-21-8-19(24)11-23)13-25-14-18-4-2-3-7-22-18/h2-8,15,17H,9-14H2,1H3/t17-/m1/s1
InChIKeyXSVWQTVQBGHHTB-QGZVFWFLSA-N
MW352.44 g/mol
LogP3.03
Rot. Bonds6

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

(6R)-8-[(5-methylfuran-2-yl)methyl]-6-(pyridin-2-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine (PubChem CID 97477287) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is (6R)-8-[(5-methylfuran-2-yl)methyl]-6-(pyridin-2-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name(6R)-8-[(5-methylfuran-2-yl)methyl]-6-(pyridin-2-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
PubChem CID97477287
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name(6R)-8-[(5-methylfuran-2-yl)methyl]-6-(pyridin-2-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
SMILESCc1ccc(CN2Cc3cncn3C[C@H](COCc3ccccn3)C2)o1
InChIInChI=1S/C20H24N4O2/c1-16-5-6-20(26-16)12-23-9-17(10-24-15-21-8-19(24)11-23)13-25-14-18-4-2-3-7-22-18/h2-8,15,17H,9-14H2,1H3/t17-/m1/s1
InChIKeyXSVWQTVQBGHHTB-QGZVFWFLSA-N
XLogP3.03
TPSA56.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6R)-8-[(5-methylfuran-2-yl)methyl]-6-(pyridin-2-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine with MolForge

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Related Compounds

1-[6-(pyridin-2-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone
CID 131663263
2-cyclopropyl-1-[6-(pyridin-2-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone
CID 131641850
(7R)-7-(pyridin-2-ylmethoxymethyl)-5-(pyridin-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 97463588
7-(ethoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 131644437
(5S)-7-[(5-methylfuran-2-yl)methyl]-5-(pyridin-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 124818211
5-(furan-3-ylmethyl)-7-(pyridin-2-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 131642580
2-methyl-4-[[(6R)-6-(pyridin-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole
CID 97476138
(6S)-8-[(1-methylpyrazol-4-yl)methyl]-6-(pyridin-2-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 97381815
7-(pyridin-2-ylmethoxymethyl)-5-(pyridin-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;bis(2,2,2-trifluoroacetic acid)
CID 155862056
(6S)-6-(ethoxymethyl)-8-(quinolin-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
CID 97474643
(1S,5R)-3-[(5-methylfuran-2-yl)methyl]-6-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane
CID 72891861
(4aR,8aR)-6-[(5-methylfuran-2-yl)methyl]-4a-(pyridin-2-ylmethoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 97364166

Frequently Asked Questions

What is the IUPAC name of (6R)-8-[(5-methylfuran-2-yl)methyl]-6-(pyridin-2-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The IUPAC name of (6R)-8-[(5-methylfuran-2-yl)methyl]-6-(pyridin-2-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine (CID 97477287) is (6R)-8-[(5-methylfuran-2-yl)methyl]-6-(pyridin-2-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine.
What is the SMILES notation for (6R)-8-[(5-methylfuran-2-yl)methyl]-6-(pyridin-2-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The canonical SMILES for (6R)-8-[(5-methylfuran-2-yl)methyl]-6-(pyridin-2-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine is Cc1ccc(CN2Cc3cncn3C[C@H](COCc3ccccn3)C2)o1.
What is the InChIKey of (6R)-8-[(5-methylfuran-2-yl)methyl]-6-(pyridin-2-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The InChIKey is XSVWQTVQBGHHTB-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-16-5-6-20(26-16)12-23-9-17(10-24-15-21-8-19(24)11-23)13-25-14-18-4-2-3-7-22-18/h2-8,15,17H,9-14H2,1H3/t17-/m1/s1.
What are the key properties of (6R)-8-[(5-methylfuran-2-yl)methyl]-6-(pyridin-2-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
(6R)-8-[(5-methylfuran-2-yl)methyl]-6-(pyridin-2-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine has a molecular weight of 352.44 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-8-[(5-methylfuran-2-yl)methyl]-6-(pyridin-2-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine is sourced from PubChem (CID 97477287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).