5-[(2,4-dimethoxyphenyl)methyl]-8-methoxy-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one

C26H27N5O5 — CID 123232811

IUPAC5-[(2,4-dimethoxyphenyl)methyl]-8-methoxy-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCOc1ccc(CN2Cc3c(-c4noc(C(C)C)n4)ncn3-c3ccc(OC)cc3C2=O)c(OC)c1
InChIInChI=1S/C26H27N5O5/c1-15(2)25-28-24(29-36-25)23-21-13-30(12-16-6-7-18(34-4)11-22(16)35-5)26(32)19-10-17(33-3)8-9-20(19)31(21)14-27-23/h6-11,14-15H,12-13H2,1-5H3
InChIKeyDKKZHBMERUTWPO-UHFFFAOYSA-N
MW489.53 g/mol
LogP4.23
Rot. Bonds7

About 5-[(2,4-dimethoxyphenyl)methyl]-8-methoxy-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one

5-[(2,4-dimethoxyphenyl)methyl]-8-methoxy-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (PubChem CID 123232811) has the molecular formula C26H27N5O5 and a molecular weight of 489.53 g/mol. Its IUPAC name is 5-[(2,4-dimethoxyphenyl)methyl]-8-methoxy-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name5-[(2,4-dimethoxyphenyl)methyl]-8-methoxy-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
PubChem CID123232811
Molecular FormulaC26H27N5O5
Molecular Weight489.53 g/mol
Exact Mass489.20
IUPAC Name5-[(2,4-dimethoxyphenyl)methyl]-8-methoxy-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCOc1ccc(CN2Cc3c(-c4noc(C(C)C)n4)ncn3-c3ccc(OC)cc3C2=O)c(OC)c1
InChIInChI=1S/C26H27N5O5/c1-15(2)25-28-24(29-36-25)23-21-13-30(12-16-6-7-18(34-4)11-22(16)35-5)26(32)19-10-17(33-3)8-9-20(19)31(21)14-27-23/h6-11,14-15H,12-13H2,1-5H3
InChIKeyDKKZHBMERUTWPO-UHFFFAOYSA-N
XLogP4.23
TPSA104.74 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.53
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-[(2,4-dimethoxyphenyl)methyl]-8-methoxy-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one with MolForge

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Related Compounds

8-methoxy-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 21291962
[15-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-9-yl]methanol
CID 126497659
8-[(2,4-dimethoxyphenyl)methyl]-5,7-dihydropyrazino[2,3-e][1,4]diazepine-6,9-dione
CID 102119190
5-(methoxymethyl)-3-(15-methoxy-10-methyl-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl)-1,2,4-oxadiazole
CID 169216493
8-fluoro-5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 14590439
8-fluoro-3-[5-(isoindol-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 22914586
4-[6-[(2,4-dimethoxyphenyl)methyl]-7-oxo-2,6,12-triazatricyclo[6.3.1.04,12]dodeca-1,3,8,10-tetraen-3-yl]benzonitrile
CID 68640530
2-(3-methoxyphenoxy)-1-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 90491417
3-(2,4-dimethoxyphenyl)-5-[(1S)-1-methoxyethyl]-1,2,4-oxadiazole
CID 95333703
6-[(2,4-dimethoxyphenyl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917028
3-[[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 56818743
3-(2,4-dimethoxyphenyl)-5-(2-pyrazol-1-ylpropyl)-1,2,4-oxadiazole
CID 138000258

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dimethoxyphenyl)methyl]-8-methoxy-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The IUPAC name of 5-[(2,4-dimethoxyphenyl)methyl]-8-methoxy-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (CID 123232811) is 5-[(2,4-dimethoxyphenyl)methyl]-8-methoxy-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one.
What is the SMILES notation for 5-[(2,4-dimethoxyphenyl)methyl]-8-methoxy-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The canonical SMILES for 5-[(2,4-dimethoxyphenyl)methyl]-8-methoxy-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is COc1ccc(CN2Cc3c(-c4noc(C(C)C)n4)ncn3-c3ccc(OC)cc3C2=O)c(OC)c1.
What is the InChIKey of 5-[(2,4-dimethoxyphenyl)methyl]-8-methoxy-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The InChIKey is DKKZHBMERUTWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O5/c1-15(2)25-28-24(29-36-25)23-21-13-30(12-16-6-7-18(34-4)11-22(16)35-5)26(32)19-10-17(33-3)8-9-20(19)31(21)14-27-23/h6-11,14-15H,12-13H2,1-5H3.
What are the key properties of 5-[(2,4-dimethoxyphenyl)methyl]-8-methoxy-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
5-[(2,4-dimethoxyphenyl)methyl]-8-methoxy-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one has a molecular weight of 489.53 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethoxyphenyl)methyl]-8-methoxy-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is sourced from PubChem (CID 123232811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).