[(6S)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrrolidin-1-ylmethanone

C14H22N4O2 — CID 97475294

IUPAC[(6S)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrrolidin-1-ylmethanone
SMILESCOC[C@@H]1CN(C(=O)N2CCCC2)Cc2cncn2C1
InChIInChI=1S/C14H22N4O2/c1-20-10-12-7-17(14(19)16-4-2-3-5-16)9-13-6-15-11-18(13)8-12/h6,11-12H,2-5,7-10H2,1H3/t12-/m1/s1
InChIKeyORLNAOTWSCAYKJ-GFCCVEGCSA-N
MW278.36 g/mol
LogP1.18
Rot. Bonds2

About [(6S)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrrolidin-1-ylmethanone

[(6S)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrrolidin-1-ylmethanone (PubChem CID 97475294) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is [(6S)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(6S)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrrolidin-1-ylmethanone
PubChem CID97475294
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name[(6S)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrrolidin-1-ylmethanone
SMILESCOC[C@@H]1CN(C(=O)N2CCCC2)Cc2cncn2C1
InChIInChI=1S/C14H22N4O2/c1-20-10-12-7-17(14(19)16-4-2-3-5-16)9-13-6-15-11-18(13)8-12/h6,11-12H,2-5,7-10H2,1H3/t12-/m1/s1
InChIKeyORLNAOTWSCAYKJ-GFCCVEGCSA-N
XLogP1.18
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(6S)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrrolidin-1-ylmethanone with MolForge

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

Launch Full Analysis

Related Compounds

1-[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine
CID 97390179
7-(Oxan-4-yl)-3-(pyrrolidin-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine
CID 97467018
Oxan-4-yl-[3-(pyrrolidin-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone
CID 97467022
N-ethyl-N-[[7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]ethanamine
CID 118739065
1-(methoxyacetyl)-4-[(1-methyl-1H-imidazol-5-yl)methyl]-1,4-diazepane
CID 77086886
1-[(1-isobutyl-1H-imidazol-5-yl)methyl]-4-(trifluoroacetyl)-1,4-diazepane
CID 132421257
2-[(8-Methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl)methoxy]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid
CID 155844337
2-(6,7-dihydro-5H-imidazo[1,5-a][1,4]diazepin-8(9H)-yl)-N-isobutyl-2-oxoacetamide
CID 56889648
8-({[2-(1-pyrrolidinyl)ethyl]thio}acetyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine
CID 56899898
(4S)-3-[(1-isobutyl-1H-imidazol-5-yl)methyl]-4-isopropyl-1,3-oxazolidin-2-one
CID 72868054
1-[3-[(Dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-3-methoxypropan-1-one
CID 97466965
2-[(8-Acetyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl)methoxy]-1-pyrrolidin-1-ylethanone
CID 131644419

Frequently Asked Questions

What is the IUPAC name of [(6S)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(6S)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrrolidin-1-ylmethanone (CID 97475294) is [(6S)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(6S)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(6S)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrrolidin-1-ylmethanone is COC[C@@H]1CN(C(=O)N2CCCC2)Cc2cncn2C1.
What is the InChIKey of [(6S)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is ORLNAOTWSCAYKJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-20-10-12-7-17(14(19)16-4-2-3-5-16)9-13-6-15-11-18(13)8-12/h6,11-12H,2-5,7-10H2,1H3/t12-/m1/s1.
What are the key properties of [(6S)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrrolidin-1-ylmethanone?
[(6S)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 278.36 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 97475294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).