5-bromo-15-methyl-9-(phenoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;15-chloro-9-(methoxymethyl)-N-prop-2-ynyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene-5-carboxamide;15-chloro-9-(methoxymethyl)-5-(pyridin-2-yloxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;15-chloro-3-methyl-9-(propan-2-yloxymethyl)-5-prop-1-ynyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;2-[15-ethynyl-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-4-phenyl-1,3-oxazole;9-(methoxymethyl)-5,15-dimethyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene

C119H103BrCl3N33O9 — CID 163967681

IUPAC5-bromo-15-methyl-9-(phenoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;15-chloro-9-(methoxymethyl)-N-prop-2-ynyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene-5-carboxamide;15-chloro-9-(methoxymethyl)-5-(pyridin-2-yloxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;15-chloro-3-methyl-9-(propan-2-yloxymethyl)-5-prop-1-ynyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;2-[15-ethynyl-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-4-phenyl-1,3-oxazole;9-(methoxymethyl)-5,15-dimethyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene
SMILESC#CCNC(=O)c1ncn2c1Cn1c(COC)nnc1-c1cc(Cl)ccc1-2.C#Cc1ccc2c(c1)-c1nnc(COC)n1Cc1c(-c3nc(-c4ccccc4)co3)ncn1-2.CC#Cc1nc(C)n2c1Cn1c(COC(C)C)nnc1-c1cc(Cl)ccc1-2.COCc1nnc2n1Cc1c(C)ncn1-c1ccc(C)cc1-2.COCc1nnc2n1Cc1c(COc3ccccn3)ncn1-c1ccc(Cl)cc1-2.Cc1ccc2c(c1)-c1nnc(COc3ccccc3)n1Cc1c(Br)ncn1-2
InChIInChI=1S/C25H18N6O2.C20H16BrN5O.C20H17ClN6O2.C20H20ClN5O.C18H15ClN6O2.C16H17N5O/c1-3-16-9-10-20-18(11-16)24-29-28-22(14-32-2)30(24)12-21-23(26-15-31(20)21)25-27-19(13-33-25)17-7-5-4-6-8-17;1-13-7-8-16-15(9-13)20-24-23-18(11-27-14-5-3-2-4-6-14)25(20)10-17-19(21)22-12-26(16)17;1-28-11-18-24-25-20-14-8-13(21)5-6-16(14)27-12-23-15(17(27)9-26(18)20)10-29-19-4-2-3-7-22-19;1-5-6-16-18-10-25-19(11-27-12(2)3)23-24-20(25)15-9-14(21)7-8-17(15)26(18)13(4)22-16;1-3-6-20-18(26)16-14-8-24-15(9-27-2)22-23-17(24)12-7-11(19)4-5-13(12)25(14)10-21-16;1-10-4-5-13-12(6-10)16-19-18-15(8-22-3)20(16)7-14-11(2)17-9-21(13)14/h1,4-11,13,15H,12,14H2,2H3;2-9,12H,10-11H2,1H3;2-8,12H,9-11H2,1H3;7-9,12H,10-11H2,1-4H3;1,4-5,7,10H,6,8-9H2,2H3,(H,20,26);4-6,9H,7-8H2,1-3H3
InChIKeySNFVKEFYFAZAQH-UHFFFAOYSA-N
MW2325.62 g/mol
LogP19.01
Rot. Bonds21

About 5-bromo-15-methyl-9-(phenoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;15-chloro-9-(methoxymethyl)-N-prop-2-ynyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene-5-carboxamide;15-chloro-9-(methoxymethyl)-5-(pyridin-2-yloxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;15-chloro-3-methyl-9-(propan-2-yloxymethyl)-5-prop-1-ynyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;2-[15-ethynyl-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-4-phenyl-1,3-oxazole;9-(methoxymethyl)-5,15-dimethyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene

5-bromo-15-methyl-9-(phenoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;15-chloro-9-(methoxymethyl)-N-prop-2-ynyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene-5-carboxamide;15-chloro-9-(methoxymethyl)-5-(pyridin-2-yloxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;15-chloro-3-methyl-9-(propan-2-yloxymethyl)-5-prop-1-ynyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;2-[15-ethynyl-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-4-phenyl-1,3-oxazole;9-(methoxymethyl)-5,15-dimethyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene (PubChem CID 163967681) has the molecular formula C119H103BrCl3N33O9 and a molecular weight of 2325.62 g/mol. Its IUPAC name is 5-bromo-15-methyl-9-(phenoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;15-chloro-9-(methoxymethyl)-N-prop-2-ynyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene-5-carboxamide;15-chloro-9-(methoxymethyl)-5-(pyridin-2-yloxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;15-chloro-3-methyl-9-(propan-2-yloxymethyl)-5-prop-1-ynyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;2-[15-ethynyl-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-4-phenyl-1,3-oxazole;9-(methoxymethyl)-5,15-dimethyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene.

Molecular Properties

Compound Name5-bromo-15-methyl-9-(phenoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;15-chloro-9-(methoxymethyl)-N-prop-2-ynyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene-5-carboxamide;15-chloro-9-(methoxymethyl)-5-(pyridin-2-yloxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;15-chloro-3-methyl-9-(propan-2-yloxymethyl)-5-prop-1-ynyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;2-[15-ethynyl-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-4-phenyl-1,3-oxazole;9-(methoxymethyl)-5,15-dimethyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene
PubChem CID163967681
Molecular FormulaC119H103BrCl3N33O9
Molecular Weight2325.62 g/mol
Exact Mass2321.69
IUPAC Name5-bromo-15-methyl-9-(phenoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;15-chloro-9-(methoxymethyl)-N-prop-2-ynyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene-5-carboxamide;15-chloro-9-(methoxymethyl)-5-(pyridin-2-yloxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;15-chloro-3-methyl-9-(propan-2-yloxymethyl)-5-prop-1-ynyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;2-[15-ethynyl-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-4-phenyl-1,3-oxazole;9-(methoxymethyl)-5,15-dimethyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene
SMILESC#CCNC(=O)c1ncn2c1Cn1c(COC)nnc1-c1cc(Cl)ccc1-2.C#Cc1ccc2c(c1)-c1nnc(COC)n1Cc1c(-c3nc(-c4ccccc4)co3)ncn1-2.CC#Cc1nc(C)n2c1Cn1c(COC(C)C)nnc1-c1cc(Cl)ccc1-2.COCc1nnc2n1Cc1c(C)ncn1-c1ccc(C)cc1-2.COCc1nnc2n1Cc1c(COc3ccccn3)ncn1-c1ccc(Cl)cc1-2.Cc1ccc2c(c1)-c1nnc(COc3ccccc3)n1Cc1c(Br)ncn1-2
InChIInChI=1S/C25H18N6O2.C20H16BrN5O.C20H17ClN6O2.C20H20ClN5O.C18H15ClN6O2.C16H17N5O/c1-3-16-9-10-20-18(11-16)24-29-28-22(14-32-2)30(24)12-21-23(26-15-31(20)21)25-27-19(13-33-25)17-7-5-4-6-8-17;1-13-7-8-16-15(9-13)20-24-23-18(11-27-14-5-3-2-4-6-14)25(20)10-17-19(21)22-12-26(16)17;1-28-11-18-24-25-20-14-8-13(21)5-6-16(14)27-12-23-15(17(27)9-26(18)20)10-29-19-4-2-3-7-22-19;1-5-6-16-18-10-25-19(11-27-12(2)3)23-24-20(25)15-9-14(21)7-8-17(15)26(18)13(4)22-16;1-3-6-20-18(26)16-14-8-24-15(9-27-2)22-23-17(24)12-7-11(19)4-5-13(12)25(14)10-21-16;1-10-4-5-13-12(6-10)16-19-18-15(8-22-3)20(16)7-14-11(2)17-9-21(13)14/h1,4-11,13,15H,12,14H2,2H3;2-9,12H,10-11H2,1H3;2-8,12H,9-11H2,1H3;7-9,12H,10-11H2,1-4H3;1,4-5,7,10H,6,8-9H2,2H3,(H,20,26);4-6,9H,7-8H2,1-3H3
InChIKeySNFVKEFYFAZAQH-UHFFFAOYSA-N
XLogP19.01
TPSA423.81 Ų
H-Bond Donors1
H-Bond Acceptors41
Rotatable Bonds21
Heavy Atoms165
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002325.62
LogP ≤ 519.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

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

Analyze 5-bromo-15-methyl-9-(phenoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;15-chloro-9-(methoxymethyl)-N-prop-2-ynyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene-5-carboxamide;15-chloro-9-(methoxymethyl)-5-(pyridin-2-yloxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;15-chloro-3-methyl-9-(propan-2-yloxymethyl)-5-prop-1-ynyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;2-[15-ethynyl-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-4-phenyl-1,3-oxazole;9-(methoxymethyl)-5,15-dimethyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-15-methyl-9-(phenoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;15-chloro-9-(methoxymethyl)-N-prop-2-ynyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene-5-carboxamide;15-chloro-9-(methoxymethyl)-5-(pyridin-2-yloxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;15-chloro-3-methyl-9-(propan-2-yloxymethyl)-5-prop-1-ynyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;2-[15-ethynyl-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-4-phenyl-1,3-oxazole;9-(methoxymethyl)-5,15-dimethyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene?
The IUPAC name of 5-bromo-15-methyl-9-(phenoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;15-chloro-9-(methoxymethyl)-N-prop-2-ynyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene-5-carboxamide;15-chloro-9-(methoxymethyl)-5-(pyridin-2-yloxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;15-chloro-3-methyl-9-(propan-2-yloxymethyl)-5-prop-1-ynyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;2-[15-ethynyl-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-4-phenyl-1,3-oxazole;9-(methoxymethyl)-5,15-dimethyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene (CID 163967681) is 5-bromo-15-methyl-9-(phenoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;15-chloro-9-(methoxymethyl)-N-prop-2-ynyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene-5-carboxamide;15-chloro-9-(methoxymethyl)-5-(pyridin-2-yloxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;15-chloro-3-methyl-9-(propan-2-yloxymethyl)-5-prop-1-ynyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;2-[15-ethynyl-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-4-phenyl-1,3-oxazole;9-(methoxymethyl)-5,15-dimethyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene.
What is the SMILES notation for 5-bromo-15-methyl-9-(phenoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;15-chloro-9-(methoxymethyl)-N-prop-2-ynyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene-5-carboxamide;15-chloro-9-(methoxymethyl)-5-(pyridin-2-yloxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;15-chloro-3-methyl-9-(propan-2-yloxymethyl)-5-prop-1-ynyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;2-[15-ethynyl-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-4-phenyl-1,3-oxazole;9-(methoxymethyl)-5,15-dimethyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene?
The canonical SMILES for 5-bromo-15-methyl-9-(phenoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;15-chloro-9-(methoxymethyl)-N-prop-2-ynyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene-5-carboxamide;15-chloro-9-(methoxymethyl)-5-(pyridin-2-yloxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;15-chloro-3-methyl-9-(propan-2-yloxymethyl)-5-prop-1-ynyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;2-[15-ethynyl-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-4-phenyl-1,3-oxazole;9-(methoxymethyl)-5,15-dimethyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene is C#CCNC(=O)c1ncn2c1Cn1c(COC)nnc1-c1cc(Cl)ccc1-2.C#Cc1ccc2c(c1)-c1nnc(COC)n1Cc1c(-c3nc(-c4ccccc4)co3)ncn1-2.CC#Cc1nc(C)n2c1Cn1c(COC(C)C)nnc1-c1cc(Cl)ccc1-2.COCc1nnc2n1Cc1c(C)ncn1-c1ccc(C)cc1-2.COCc1nnc2n1Cc1c(COc3ccccn3)ncn1-c1ccc(Cl)cc1-2.Cc1ccc2c(c1)-c1nnc(COc3ccccc3)n1Cc1c(Br)ncn1-2.
What is the InChIKey of 5-bromo-15-methyl-9-(phenoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;15-chloro-9-(methoxymethyl)-N-prop-2-ynyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene-5-carboxamide;15-chloro-9-(methoxymethyl)-5-(pyridin-2-yloxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;15-chloro-3-methyl-9-(propan-2-yloxymethyl)-5-prop-1-ynyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;2-[15-ethynyl-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-4-phenyl-1,3-oxazole;9-(methoxymethyl)-5,15-dimethyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene?
The InChIKey is SNFVKEFYFAZAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N6O2.C20H16BrN5O.C20H17ClN6O2.C20H20ClN5O.C18H15ClN6O2.C16H17N5O/c1-3-16-9-10-20-18(11-16)24-29-28-22(14-32-2)30(24)12-21-23(26-15-31(20)21)25-27-19(13-33-25)17-7-5-4-6-8-17;1-13-7-8-16-15(9-13)20-24-23-18(11-27-14-5-3-2-4-6-14)25(20)10-17-19(21)22-12-26(16)17;1-28-11-18-24-25-20-14-8-13(21)5-6-16(14)27-12-23-15(17(27)9-26(18)20)10-29-19-4-2-3-7-22-19;1-5-6-16-18-10-25-19(11-27-12(2)3)23-24-20(25)15-9-14(21)7-8-17(15)26(18)13(4)22-16;1-3-6-20-18(26)16-14-8-24-15(9-27-2)22-23-17(24)12-7-11(19)4-5-13(12)25(14)10-21-16;1-10-4-5-13-12(6-10)16-19-18-15(8-22-3)20(16)7-14-11(2)17-9-21(13)14/h1,4-11,13,15H,12,14H2,2H3;2-9,12H,10-11H2,1H3;2-8,12H,9-11H2,1H3;7-9,12H,10-11H2,1-4H3;1,4-5,7,10H,6,8-9H2,2H3,(H,20,26);4-6,9H,7-8H2,1-3H3.
What are the key properties of 5-bromo-15-methyl-9-(phenoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;15-chloro-9-(methoxymethyl)-N-prop-2-ynyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene-5-carboxamide;15-chloro-9-(methoxymethyl)-5-(pyridin-2-yloxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;15-chloro-3-methyl-9-(propan-2-yloxymethyl)-5-prop-1-ynyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;2-[15-ethynyl-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-4-phenyl-1,3-oxazole;9-(methoxymethyl)-5,15-dimethyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene?
5-bromo-15-methyl-9-(phenoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;15-chloro-9-(methoxymethyl)-N-prop-2-ynyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene-5-carboxamide;15-chloro-9-(methoxymethyl)-5-(pyridin-2-yloxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;15-chloro-3-methyl-9-(propan-2-yloxymethyl)-5-prop-1-ynyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;2-[15-ethynyl-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-4-phenyl-1,3-oxazole;9-(methoxymethyl)-5,15-dimethyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene has a molecular weight of 2325.62 g/mol, XLogP of 19.01, 21 rotatable bonds, 1 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-15-methyl-9-(phenoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;15-chloro-9-(methoxymethyl)-N-prop-2-ynyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene-5-carboxamide;15-chloro-9-(methoxymethyl)-5-(pyridin-2-yloxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;15-chloro-3-methyl-9-(propan-2-yloxymethyl)-5-prop-1-ynyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;2-[15-ethynyl-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-4-phenyl-1,3-oxazole;9-(methoxymethyl)-5,15-dimethyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene is sourced from PubChem (CID 163967681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).