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192189-28-9 | 6H-Dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one, 11-ethyl-5,11-dihydro-5-methyl-2-(1H-pyrrolo[3,2-b]pyridin-3-yl)-
CAS No: 192189-28-9 Catalog No: AG002FPU MDL No:
Product Description
Catalog Number:
AG002FPU
Chemical Name:
6H-Dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one, 11-ethyl-5,11-dihydro-5-methyl-2-(1H-pyrrolo[3,2-b]pyridin-3-yl)-
CAS Number:
192189-28-9
Molecular Formula:
C21H18N6O
Molecular Weight:
370.4072
IUPAC Name:
2-ethyl-9-methyl-5-(1H-pyrrolo[3,2-b]pyridin-3-yl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
InChI:
InChI=1S/C21H18N6O/c1-3-27-19-13(6-4-11-23-19)21(28)26(2)17-9-8-15(25-20(17)27)14-12-24-16-7-5-10-22-18(14)16/h4-12,24H,3H2,1-2H3
InChI Key:
HUDKKUOYZHDRQE-UHFFFAOYSA-N
SMILES:
CCn1c2ncccc2c(=O)n(c2c1nc(cc2)c1c[nH]c2c1nccc2)C
Properties
Complexity:
587
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.154g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
370.416g/mol
Monoisotopic Mass:
370.154g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Novel non-nucleoside inhibitors of human immunodeficiency virus type 1 reverse transcriptase. 6. 2-Indol-3-yl- and 2-azaindol-3-yl-dipyridodiazepinones. | Journal of medicinal chemistry 19970718 |
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