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192189-29-0 | 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-c]pyridin-3-yl)-
CAS No: 192189-29-0 Catalog No: AG002FPT MDL No:
Product Description
Catalog Number:
AG002FPT
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-c]pyridin-3-yl)-
CAS Number:
192189-29-0
Molecular Formula:
C21H18N6O
Molecular Weight:
370.4072
IUPAC Name:
2-ethyl-9-methyl-5-(1H-pyrrolo[3,2-c]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(5-4-9-23-19)21(28)26(2)18-7-6-17(25-20(18)27)15-12-24-16-8-10-22-11-14(15)16/h4-12,24H,3H2,1-2H3
InChI Key:
BOCZNEJOYWHXFD-UHFFFAOYSA-N
SMILES:
CCn1c2nc(ccc2n(c(=O)c2c1nccc2)C)c1c[nH]c2c1cncc2
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:
2.3
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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