2-[[(6R)-8-methylsulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl]methoxy]-1-pyrrolidin-1-ylethanone

C15H24N4O4S — CID 97487224

IUPAC2-[[(6R)-8-methylsulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl]methoxy]-1-pyrrolidin-1-ylethanone
SMILESCS(=O)(=O)N1Cc2cncn2C[C@@H](COCC(=O)N2CCCC2)C1
InChIInChI=1S/C15H24N4O4S/c1-24(21,22)19-8-13(7-18-12-16-6-14(18)9-19)10-23-11-15(20)17-4-2-3-5-17/h6,12-13H,2-5,7-11H2,1H3/t13-/m1/s1
InChIKeyBJUQWNZHIKKSOH-CYBMUJFWSA-N
MW356.45 g/mol
LogP-0.09
Rot. Bonds5

About 2-[[(6R)-8-methylsulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl]methoxy]-1-pyrrolidin-1-ylethanone

2-[[(6R)-8-methylsulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl]methoxy]-1-pyrrolidin-1-ylethanone (PubChem CID 97487224) has the molecular formula C15H24N4O4S and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-[[(6R)-8-methylsulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl]methoxy]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[[(6R)-8-methylsulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl]methoxy]-1-pyrrolidin-1-ylethanone
PubChem CID97487224
Molecular FormulaC15H24N4O4S
Molecular Weight356.45 g/mol
Exact Mass356.15
IUPAC Name2-[[(6R)-8-methylsulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl]methoxy]-1-pyrrolidin-1-ylethanone
SMILESCS(=O)(=O)N1Cc2cncn2C[C@@H](COCC(=O)N2CCCC2)C1
InChIInChI=1S/C15H24N4O4S/c1-24(21,22)19-8-13(7-18-12-16-6-14(18)9-19)10-23-11-15(20)17-4-2-3-5-17/h6,12-13H,2-5,7-11H2,1H3/t13-/m1/s1
InChIKeyBJUQWNZHIKKSOH-CYBMUJFWSA-N
XLogP-0.09
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[(6R)-8-methylsulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl]methoxy]-1-pyrrolidin-1-ylethanone with MolForge

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Related Compounds

2-[(8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl)methoxy]-1-pyrrolidin-1-ylethanone
CID 131648100
2-[[(5R)-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxy]-1-pyrrolidin-1-ylethanone
CID 124782862
1-[6-(cyclobutylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-2-methylsulfonylethanone
CID 133141687
1-[(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-2-methylsulfonylethanone
CID 97474682
6-[(3-fluoro-2-pyridinyl)oxymethyl]-8-methylsulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid
CID 155845736
(6S)-N,N-dimethyl-6-(2-methylpropoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-sulfonamide
CID 97477864
2-[[(5R)-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxy]-1-pyrrolidin-1-ylethanone
CID 124815731
7-(ethoxymethyl)-5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 131654910
N,N-dimethyl-2-[[(6R)-8-(pyridin-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl]methoxy]acetamide
CID 97485733
6-(cyclobutylmethoxymethyl)-8-(cyclobutylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid
CID 155832299
1-pyrrolidin-1-yl-2-[[7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxy]ethanone
CID 131658018
2-cyclopropyl-1-[(6S)-6-(pyridin-4-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone
CID 97474718

Frequently Asked Questions

What is the IUPAC name of 2-[[(6R)-8-methylsulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl]methoxy]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[[(6R)-8-methylsulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl]methoxy]-1-pyrrolidin-1-ylethanone (CID 97487224) is 2-[[(6R)-8-methylsulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl]methoxy]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[[(6R)-8-methylsulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl]methoxy]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[[(6R)-8-methylsulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl]methoxy]-1-pyrrolidin-1-ylethanone is CS(=O)(=O)N1Cc2cncn2C[C@@H](COCC(=O)N2CCCC2)C1.
What is the InChIKey of 2-[[(6R)-8-methylsulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl]methoxy]-1-pyrrolidin-1-ylethanone?
The InChIKey is BJUQWNZHIKKSOH-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24N4O4S/c1-24(21,22)19-8-13(7-18-12-16-6-14(18)9-19)10-23-11-15(20)17-4-2-3-5-17/h6,12-13H,2-5,7-11H2,1H3/t13-/m1/s1.
What are the key properties of 2-[[(6R)-8-methylsulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl]methoxy]-1-pyrrolidin-1-ylethanone?
2-[[(6R)-8-methylsulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl]methoxy]-1-pyrrolidin-1-ylethanone has a molecular weight of 356.45 g/mol, XLogP of -0.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6R)-8-methylsulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl]methoxy]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 97487224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).