[2-(7-bromo-4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-4-chloro-3-pyridinyl]methyl acetate;4-chloro-2-(7,7-difluoro-1-oxo-8,9-dihydro-6H-pyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(8,8-difluoro-1-oxo-7,9-dihydro-6H-pyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(8,10-difluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(4,4-dimethyl-9-oxo-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde;4-chloro-2-(4,4-dimethyl-9-oxo-1,10,12-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde;4-chloro-2-(7-methyl-1-oxo-6,7,8,9-tetrahydropyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,12-pentaen-11-yl)pyridine-3-carbaldehyde

C156H116BrCl9F6N30O19 — CID 165097346

IUPAC[2-(7-bromo-4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-4-chloro-3-pyridinyl]methyl acetate;4-chloro-2-(7,7-difluoro-1-oxo-8,9-dihydro-6H-pyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(8,8-difluoro-1-oxo-7,9-dihydro-6H-pyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(8,10-difluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(4,4-dimethyl-9-oxo-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde;4-chloro-2-(4,4-dimethyl-9-oxo-1,10,12-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde;4-chloro-2-(7-methyl-1-oxo-6,7,8,9-tetrahydropyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,12-pentaen-11-yl)pyridine-3-carbaldehyde
SMILESCC(=O)OCc1c(Cl)ccnc1-n1ccn2c3c(c(Br)c2c1=O)CC(C)(C)C3.CC1(C)Cc2cc3c(=O)n(-c4nccc(Cl)c4C=O)cnn3c2C1.CC1(C)Cc2cc3c(=O)n(-c4nccc(Cl)c4C=O)ncn3c2C1.CC1CCc2cc3c(=O)n(-c4nccc(Cl)c4C=O)ccn3c2C1.O=Cc1c(Cl)ccnc1-n1ccn2c(c(F)c3cc(F)ccc32)c1=O.O=Cc1c(Cl)ccnc1-n1ccn2c(cc3ccccc32)c1=O.O=Cc1c(Cl)ccnc1-n1ccn2c(cc3cccnc32)c1=O.O=Cc1c(Cl)ccnc1-n1ccn2c3c(cc2c1=O)CC(F)(F)CC3.O=Cc1c(Cl)ccnc1-n1ccn2c3c(cc2c1=O)CCC(F)(F)C3
InChIInChI=1S/C20H19BrClN3O3.C18H16ClN3O2.2C17H12ClF2N3O2.C17H8ClF2N3O2.2C17H15ClN4O2.C17H10ClN3O2.C16H9ClN4O2/c1-11(26)28-10-13-14(22)4-5-23-18(13)25-7-6-24-15-9-20(2,3)8-12(15)16(21)17(24)19(25)27;1-11-2-3-12-9-16-18(24)22(7-6-21(16)15(12)8-11)17-13(10-23)14(19)4-5-20-17;18-12-2-4-21-15(11(12)9-24)23-6-5-22-13-1-3-17(19,20)8-10(13)7-14(22)16(23)25;18-12-2-4-21-15(11(12)9-24)23-6-5-22-13(16(23)25)7-10-1-3-17(19,20)8-14(10)22;18-12-3-4-21-16(11(12)8-24)23-6-5-22-13-2-1-9(19)7-10(13)14(20)15(22)17(23)25;1-17(2)6-10-5-13-16(24)21(9-20-22(13)14(10)7-17)15-11(8-23)12(18)3-4-19-15;1-17(2)6-10-5-13-16(24)22(20-9-21(13)14(10)7-17)15-11(8-23)12(18)3-4-19-15;18-13-5-6-19-16(12(13)10-22)21-8-7-20-14-4-2-1-3-11(14)9-15(20)17(21)23;17-12-3-5-19-15(11(12)9-22)21-7-6-20-13(16(21)23)8-10-2-1-4-18-14(10)20/h4-7H,8-10H2,1-3H3;4-7,9-11H,2-3,8H2,1H3;2*2,4-7,9H,1,3,8H2;1-8H;2*3-5,8-9H,6-7H2,1-2H3;1-10H;1-9H
InChIKeyXSPWVCGIRJOGCY-UHFFFAOYSA-N
MW3227.80 g/mol
LogP27.24
Rot. Bonds19

About [2-(7-bromo-4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-4-chloro-3-pyridinyl]methyl acetate;4-chloro-2-(7,7-difluoro-1-oxo-8,9-dihydro-6H-pyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(8,8-difluoro-1-oxo-7,9-dihydro-6H-pyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(8,10-difluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(4,4-dimethyl-9-oxo-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde;4-chloro-2-(4,4-dimethyl-9-oxo-1,10,12-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde;4-chloro-2-(7-methyl-1-oxo-6,7,8,9-tetrahydropyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,12-pentaen-11-yl)pyridine-3-carbaldehyde

[2-(7-bromo-4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-4-chloro-3-pyridinyl]methyl acetate;4-chloro-2-(7,7-difluoro-1-oxo-8,9-dihydro-6H-pyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(8,8-difluoro-1-oxo-7,9-dihydro-6H-pyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(8,10-difluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(4,4-dimethyl-9-oxo-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde;4-chloro-2-(4,4-dimethyl-9-oxo-1,10,12-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde;4-chloro-2-(7-methyl-1-oxo-6,7,8,9-tetrahydropyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,12-pentaen-11-yl)pyridine-3-carbaldehyde (PubChem CID 165097346) has the molecular formula C156H116BrCl9F6N30O19 and a molecular weight of 3227.80 g/mol. Its IUPAC name is [2-(7-bromo-4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-4-chloro-3-pyridinyl]methyl acetate;4-chloro-2-(7,7-difluoro-1-oxo-8,9-dihydro-6H-pyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(8,8-difluoro-1-oxo-7,9-dihydro-6H-pyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(8,10-difluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(4,4-dimethyl-9-oxo-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde;4-chloro-2-(4,4-dimethyl-9-oxo-1,10,12-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde;4-chloro-2-(7-methyl-1-oxo-6,7,8,9-tetrahydropyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,12-pentaen-11-yl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name[2-(7-bromo-4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-4-chloro-3-pyridinyl]methyl acetate;4-chloro-2-(7,7-difluoro-1-oxo-8,9-dihydro-6H-pyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(8,8-difluoro-1-oxo-7,9-dihydro-6H-pyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(8,10-difluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(4,4-dimethyl-9-oxo-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde;4-chloro-2-(4,4-dimethyl-9-oxo-1,10,12-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde;4-chloro-2-(7-methyl-1-oxo-6,7,8,9-tetrahydropyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,12-pentaen-11-yl)pyridine-3-carbaldehyde
PubChem CID165097346
Molecular FormulaC156H116BrCl9F6N30O19
Molecular Weight3227.80 g/mol
Exact Mass3220.53
IUPAC Name[2-(7-bromo-4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-4-chloro-3-pyridinyl]methyl acetate;4-chloro-2-(7,7-difluoro-1-oxo-8,9-dihydro-6H-pyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(8,8-difluoro-1-oxo-7,9-dihydro-6H-pyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(8,10-difluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(4,4-dimethyl-9-oxo-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde;4-chloro-2-(4,4-dimethyl-9-oxo-1,10,12-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde;4-chloro-2-(7-methyl-1-oxo-6,7,8,9-tetrahydropyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,12-pentaen-11-yl)pyridine-3-carbaldehyde
SMILESCC(=O)OCc1c(Cl)ccnc1-n1ccn2c3c(c(Br)c2c1=O)CC(C)(C)C3.CC1(C)Cc2cc3c(=O)n(-c4nccc(Cl)c4C=O)cnn3c2C1.CC1(C)Cc2cc3c(=O)n(-c4nccc(Cl)c4C=O)ncn3c2C1.CC1CCc2cc3c(=O)n(-c4nccc(Cl)c4C=O)ccn3c2C1.O=Cc1c(Cl)ccnc1-n1ccn2c(c(F)c3cc(F)ccc32)c1=O.O=Cc1c(Cl)ccnc1-n1ccn2c(cc3ccccc32)c1=O.O=Cc1c(Cl)ccnc1-n1ccn2c(cc3cccnc32)c1=O.O=Cc1c(Cl)ccnc1-n1ccn2c3c(cc2c1=O)CC(F)(F)CC3.O=Cc1c(Cl)ccnc1-n1ccn2c3c(cc2c1=O)CCC(F)(F)C3
InChIInChI=1S/C20H19BrClN3O3.C18H16ClN3O2.2C17H12ClF2N3O2.C17H8ClF2N3O2.2C17H15ClN4O2.C17H10ClN3O2.C16H9ClN4O2/c1-11(26)28-10-13-14(22)4-5-23-18(13)25-7-6-24-15-9-20(2,3)8-12(15)16(21)17(24)19(25)27;1-11-2-3-12-9-16-18(24)22(7-6-21(16)15(12)8-11)17-13(10-23)14(19)4-5-20-17;18-12-2-4-21-15(11(12)9-24)23-6-5-22-13-1-3-17(19,20)8-10(13)7-14(22)16(23)25;18-12-2-4-21-15(11(12)9-24)23-6-5-22-13(16(23)25)7-10-1-3-17(19,20)8-14(10)22;18-12-3-4-21-16(11(12)8-24)23-6-5-22-13-2-1-9(19)7-10(13)14(20)15(22)17(23)25;1-17(2)6-10-5-13-16(24)21(9-20-22(13)14(10)7-17)15-11(8-23)12(18)3-4-19-15;1-17(2)6-10-5-13-16(24)22(20-9-21(13)14(10)7-17)15-11(8-23)12(18)3-4-19-15;18-13-5-6-19-16(12(13)10-22)21-8-7-20-14-4-2-1-3-11(14)9-15(20)17(21)23;17-12-3-5-19-15(11(12)9-22)21-7-6-20-13(16(21)23)8-10-2-1-4-18-14(10)20/h4-7H,8-10H2,1-3H3;4-7,9-11H,2-3,8H2,1H3;2*2,4-7,9H,1,3,8H2;1-8H;2*3-5,8-9H,6-7H2,1-2H3;1-10H;1-9H
InChIKeyXSPWVCGIRJOGCY-UHFFFAOYSA-N
XLogP27.24
TPSA555.23 Ų
H-Bond Donors
H-Bond Acceptors49
Rotatable Bonds19
Heavy Atoms221
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003227.80
LogP ≤ 527.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze [2-(7-bromo-4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-4-chloro-3-pyridinyl]methyl acetate;4-chloro-2-(7,7-difluoro-1-oxo-8,9-dihydro-6H-pyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(8,8-difluoro-1-oxo-7,9-dihydro-6H-pyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(8,10-difluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(4,4-dimethyl-9-oxo-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde;4-chloro-2-(4,4-dimethyl-9-oxo-1,10,12-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde;4-chloro-2-(7-methyl-1-oxo-6,7,8,9-tetrahydropyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,12-pentaen-11-yl)pyridine-3-carbaldehyde with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-(7-bromo-4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-4-chloro-3-pyridinyl]methyl acetate;4-chloro-2-(7,7-difluoro-1-oxo-8,9-dihydro-6H-pyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(8,8-difluoro-1-oxo-7,9-dihydro-6H-pyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(8,10-difluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(4,4-dimethyl-9-oxo-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde;4-chloro-2-(4,4-dimethyl-9-oxo-1,10,12-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde;4-chloro-2-(7-methyl-1-oxo-6,7,8,9-tetrahydropyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,12-pentaen-11-yl)pyridine-3-carbaldehyde?
The IUPAC name of [2-(7-bromo-4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-4-chloro-3-pyridinyl]methyl acetate;4-chloro-2-(7,7-difluoro-1-oxo-8,9-dihydro-6H-pyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(8,8-difluoro-1-oxo-7,9-dihydro-6H-pyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(8,10-difluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(4,4-dimethyl-9-oxo-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde;4-chloro-2-(4,4-dimethyl-9-oxo-1,10,12-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde;4-chloro-2-(7-methyl-1-oxo-6,7,8,9-tetrahydropyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,12-pentaen-11-yl)pyridine-3-carbaldehyde (CID 165097346) is [2-(7-bromo-4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-4-chloro-3-pyridinyl]methyl acetate;4-chloro-2-(7,7-difluoro-1-oxo-8,9-dihydro-6H-pyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(8,8-difluoro-1-oxo-7,9-dihydro-6H-pyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(8,10-difluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(4,4-dimethyl-9-oxo-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde;4-chloro-2-(4,4-dimethyl-9-oxo-1,10,12-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde;4-chloro-2-(7-methyl-1-oxo-6,7,8,9-tetrahydropyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,12-pentaen-11-yl)pyridine-3-carbaldehyde.
What is the SMILES notation for [2-(7-bromo-4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-4-chloro-3-pyridinyl]methyl acetate;4-chloro-2-(7,7-difluoro-1-oxo-8,9-dihydro-6H-pyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(8,8-difluoro-1-oxo-7,9-dihydro-6H-pyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(8,10-difluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(4,4-dimethyl-9-oxo-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde;4-chloro-2-(4,4-dimethyl-9-oxo-1,10,12-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde;4-chloro-2-(7-methyl-1-oxo-6,7,8,9-tetrahydropyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,12-pentaen-11-yl)pyridine-3-carbaldehyde?
The canonical SMILES for [2-(7-bromo-4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-4-chloro-3-pyridinyl]methyl acetate;4-chloro-2-(7,7-difluoro-1-oxo-8,9-dihydro-6H-pyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(8,8-difluoro-1-oxo-7,9-dihydro-6H-pyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(8,10-difluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(4,4-dimethyl-9-oxo-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde;4-chloro-2-(4,4-dimethyl-9-oxo-1,10,12-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde;4-chloro-2-(7-methyl-1-oxo-6,7,8,9-tetrahydropyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,12-pentaen-11-yl)pyridine-3-carbaldehyde is CC(=O)OCc1c(Cl)ccnc1-n1ccn2c3c(c(Br)c2c1=O)CC(C)(C)C3.CC1(C)Cc2cc3c(=O)n(-c4nccc(Cl)c4C=O)cnn3c2C1.CC1(C)Cc2cc3c(=O)n(-c4nccc(Cl)c4C=O)ncn3c2C1.CC1CCc2cc3c(=O)n(-c4nccc(Cl)c4C=O)ccn3c2C1.O=Cc1c(Cl)ccnc1-n1ccn2c(c(F)c3cc(F)ccc32)c1=O.O=Cc1c(Cl)ccnc1-n1ccn2c(cc3ccccc32)c1=O.O=Cc1c(Cl)ccnc1-n1ccn2c(cc3cccnc32)c1=O.O=Cc1c(Cl)ccnc1-n1ccn2c3c(cc2c1=O)CC(F)(F)CC3.O=Cc1c(Cl)ccnc1-n1ccn2c3c(cc2c1=O)CCC(F)(F)C3.
What is the InChIKey of [2-(7-bromo-4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-4-chloro-3-pyridinyl]methyl acetate;4-chloro-2-(7,7-difluoro-1-oxo-8,9-dihydro-6H-pyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(8,8-difluoro-1-oxo-7,9-dihydro-6H-pyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(8,10-difluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(4,4-dimethyl-9-oxo-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde;4-chloro-2-(4,4-dimethyl-9-oxo-1,10,12-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde;4-chloro-2-(7-methyl-1-oxo-6,7,8,9-tetrahydropyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,12-pentaen-11-yl)pyridine-3-carbaldehyde?
The InChIKey is XSPWVCGIRJOGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrClN3O3.C18H16ClN3O2.2C17H12ClF2N3O2.C17H8ClF2N3O2.2C17H15ClN4O2.C17H10ClN3O2.C16H9ClN4O2/c1-11(26)28-10-13-14(22)4-5-23-18(13)25-7-6-24-15-9-20(2,3)8-12(15)16(21)17(24)19(25)27;1-11-2-3-12-9-16-18(24)22(7-6-21(16)15(12)8-11)17-13(10-23)14(19)4-5-20-17;18-12-2-4-21-15(11(12)9-24)23-6-5-22-13-1-3-17(19,20)8-10(13)7-14(22)16(23)25;18-12-2-4-21-15(11(12)9-24)23-6-5-22-13(16(23)25)7-10-1-3-17(19,20)8-14(10)22;18-12-3-4-21-16(11(12)8-24)23-6-5-22-13-2-1-9(19)7-10(13)14(20)15(22)17(23)25;1-17(2)6-10-5-13-16(24)21(9-20-22(13)14(10)7-17)15-11(8-23)12(18)3-4-19-15;1-17(2)6-10-5-13-16(24)22(20-9-21(13)14(10)7-17)15-11(8-23)12(18)3-4-19-15;18-13-5-6-19-16(12(13)10-22)21-8-7-20-14-4-2-1-3-11(14)9-15(20)17(21)23;17-12-3-5-19-15(11(12)9-22)21-7-6-20-13(16(21)23)8-10-2-1-4-18-14(10)20/h4-7H,8-10H2,1-3H3;4-7,9-11H,2-3,8H2,1H3;2*2,4-7,9H,1,3,8H2;1-8H;2*3-5,8-9H,6-7H2,1-2H3;1-10H;1-9H.
What are the key properties of [2-(7-bromo-4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-4-chloro-3-pyridinyl]methyl acetate;4-chloro-2-(7,7-difluoro-1-oxo-8,9-dihydro-6H-pyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(8,8-difluoro-1-oxo-7,9-dihydro-6H-pyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(8,10-difluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(4,4-dimethyl-9-oxo-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde;4-chloro-2-(4,4-dimethyl-9-oxo-1,10,12-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde;4-chloro-2-(7-methyl-1-oxo-6,7,8,9-tetrahydropyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,12-pentaen-11-yl)pyridine-3-carbaldehyde?
[2-(7-bromo-4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-4-chloro-3-pyridinyl]methyl acetate;4-chloro-2-(7,7-difluoro-1-oxo-8,9-dihydro-6H-pyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(8,8-difluoro-1-oxo-7,9-dihydro-6H-pyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(8,10-difluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(4,4-dimethyl-9-oxo-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde;4-chloro-2-(4,4-dimethyl-9-oxo-1,10,12-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde;4-chloro-2-(7-methyl-1-oxo-6,7,8,9-tetrahydropyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,12-pentaen-11-yl)pyridine-3-carbaldehyde has a molecular weight of 3227.80 g/mol, XLogP of 27.24, 19 rotatable bonds, 0 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(7-bromo-4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-4-chloro-3-pyridinyl]methyl acetate;4-chloro-2-(7,7-difluoro-1-oxo-8,9-dihydro-6H-pyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(8,8-difluoro-1-oxo-7,9-dihydro-6H-pyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(8,10-difluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(4,4-dimethyl-9-oxo-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde;4-chloro-2-(4,4-dimethyl-9-oxo-1,10,12-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde;4-chloro-2-(7-methyl-1-oxo-6,7,8,9-tetrahydropyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,12-pentaen-11-yl)pyridine-3-carbaldehyde is sourced from PubChem (CID 165097346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).