7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;6-chloro-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione

C27H23Cl2N7O4 — CID 157329052

IUPAC7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;6-chloro-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCN1CC(=O)Nc2cccc(Cl)c2C1=O.CN1Cc2c(-c3noc(C4CC4)n3)ncn2-c2cccc(Cl)c2C1=O
InChIInChI=1S/C17H14ClN5O2.C10H9ClN2O2/c1-22-7-12-14(15-20-16(25-21-15)9-5-6-9)19-8-23(12)11-4-2-3-10(18)13(11)17(22)24;1-13-5-8(14)12-7-4-2-3-6(11)9(7)10(13)15/h2-4,8-9H,5-7H2,1H3;2-4H,5H2,1H3,(H,12,14)
InChIKeyBFBMOZLXLDVEKZ-UHFFFAOYSA-N
MW580.43 g/mol
LogP4.40
Rot. Bonds2

About 7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;6-chloro-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione

7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;6-chloro-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione (PubChem CID 157329052) has the molecular formula C27H23Cl2N7O4 and a molecular weight of 580.43 g/mol. Its IUPAC name is 7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;6-chloro-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione.

Molecular Properties

Compound Name7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;6-chloro-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
PubChem CID157329052
Molecular FormulaC27H23Cl2N7O4
Molecular Weight580.43 g/mol
Exact Mass579.12
IUPAC Name7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;6-chloro-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCN1CC(=O)Nc2cccc(Cl)c2C1=O.CN1Cc2c(-c3noc(C4CC4)n3)ncn2-c2cccc(Cl)c2C1=O
InChIInChI=1S/C17H14ClN5O2.C10H9ClN2O2/c1-22-7-12-14(15-20-16(25-21-15)9-5-6-9)19-8-23(12)11-4-2-3-10(18)13(11)17(22)24;1-13-5-8(14)12-7-4-2-3-6(11)9(7)10(13)15/h2-4,8-9H,5-7H2,1H3;2-4H,5H2,1H3,(H,12,14)
InChIKeyBFBMOZLXLDVEKZ-UHFFFAOYSA-N
XLogP4.40
TPSA126.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.43
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;6-chloro-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione with MolForge

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Related Compounds

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7-chloro-5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;methanamine
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CID 10316796
3-[5-(4-amino-2,6-dimethylheptan-4-yl)-1,2,4-oxadiazol-3-yl]-7-chloro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 70075659
[6-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
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3-[5-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-1,2,4-oxadiazol-3-yl]-7-chloro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 70362081
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3-[(9R)-13-chloro-9-methyl-2,4,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,10,13,15-hexaen-5-yl]-5-cyclopropyl-1,2,4-oxadiazole
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5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-10-methoxy-2,4,8,10-tetrazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),3,5,11(15),12-pentaen-9-one
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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;6-chloro-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
The IUPAC name of 7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;6-chloro-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione (CID 157329052) is 7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;6-chloro-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione.
What is the SMILES notation for 7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;6-chloro-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
The canonical SMILES for 7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;6-chloro-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione is CN1CC(=O)Nc2cccc(Cl)c2C1=O.CN1Cc2c(-c3noc(C4CC4)n3)ncn2-c2cccc(Cl)c2C1=O.
What is the InChIKey of 7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;6-chloro-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
The InChIKey is BFBMOZLXLDVEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O2.C10H9ClN2O2/c1-22-7-12-14(15-20-16(25-21-15)9-5-6-9)19-8-23(12)11-4-2-3-10(18)13(11)17(22)24;1-13-5-8(14)12-7-4-2-3-6(11)9(7)10(13)15/h2-4,8-9H,5-7H2,1H3;2-4H,5H2,1H3,(H,12,14).
What are the key properties of 7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;6-chloro-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;6-chloro-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione has a molecular weight of 580.43 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;6-chloro-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 157329052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).