1-(9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one;5-[(5-fluoro-2-pyridinyl)methoxy]-2-(9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridazin-3-one;2-(9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)-5-[(6-methyl-3-pyridinyl)methoxy]pyridazin-3-one;1-(9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[(6-methyl-3-pyridinyl)methoxy]pyridin-2-one;1-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-(5-methyl-2-pyridinyl)pyridin-2-one;2-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-5-phenylmethoxypyridazin-3-one

C153H150FN25O11 — CID 157373227

IUPAC1-(9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one;5-[(5-fluoro-2-pyridinyl)methoxy]-2-(9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridazin-3-one;2-(9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)-5-[(6-methyl-3-pyridinyl)methoxy]pyridazin-3-one;1-(9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[(6-methyl-3-pyridinyl)methoxy]pyridin-2-one;1-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-(5-methyl-2-pyridinyl)pyridin-2-one;2-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-5-phenylmethoxypyridazin-3-one
SMILESCc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CC3CCC5N3)c(=O)c2)nc1.Cc1ccc(COc2ccn(-c3ccc4c5c(n(C)c4c3)CC3CCCC5N3)c(=O)c2)cn1.Cc1ccc(COc2cnn(-c3ccc4c5c(n(C)c4c3)CC3CCCC5N3)c(=O)c2)cn1.Cn1c2c(c3ccc(-n4ncc(OCc5ccc(F)cn5)cc4=O)cc31)C1CCCC(C2)N1.Cn1c2c(c3ccc(-n4ncc(OCc5ccccc5)cc4=O)cc31)C1CCC(C2)N1.O=c1cc(OCc2ccccc2)ccn1-c1ccc2c3c([nH]c2c1)CC1CCC3N1
InChIInChI=1S/C27H28N4O2.C26H27N5O2.C25H24FN5O2.C25H24N4O2.C25H24N4O.C25H23N3O2/c1-17-6-7-18(15-28-17)16-33-21-10-11-31(26(32)14-21)20-8-9-22-24(13-20)30(2)25-12-19-4-3-5-23(29-19)27(22)25;1-16-6-7-17(13-27-16)15-33-20-12-25(32)31(28-14-20)19-8-9-21-23(11-19)30(2)24-10-18-4-3-5-22(29-18)26(21)24;1-30-22-10-18(7-8-20(22)25-21-4-2-3-16(29-21)9-23(25)30)31-24(32)11-19(13-28-31)33-14-17-6-5-15(26)12-27-17;1-28-22-12-18(8-9-20(22)25-21-10-7-17(27-21)11-23(25)28)29-24(30)13-19(14-26-29)31-15-16-5-3-2-4-6-16;1-15-3-7-20(26-14-15)16-9-10-29(24(30)11-16)18-5-6-19-22(13-18)28(2)23-12-17-4-8-21(27-17)25(19)23;29-24-14-19(30-15-16-4-2-1-3-5-16)10-11-28(24)18-7-8-20-22(13-18)27-23-12-17-6-9-21(26-17)25(20)23/h6-11,13-15,19,23,29H,3-5,12,16H2,1-2H3;6-9,11-14,18,22,29H,3-5,10,15H2,1-2H3;5-8,10-13,16,21,29H,2-4,9,14H2,1H3;2-6,8-9,12-14,17,21,27H,7,10-11,15H2,1H3;3,5-7,9-11,13-14,17,21,27H,4,8,12H2,1-2H3;1-5,7-8,10-11,13-14,17,21,26-27H,6,9,12,15H2
InChIKeyBJZXGLOKTRJCHF-UHFFFAOYSA-N
MW2534.04 g/mol
LogP23.62
Rot. Bonds22

About 1-(9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one;5-[(5-fluoro-2-pyridinyl)methoxy]-2-(9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridazin-3-one;2-(9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)-5-[(6-methyl-3-pyridinyl)methoxy]pyridazin-3-one;1-(9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[(6-methyl-3-pyridinyl)methoxy]pyridin-2-one;1-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-(5-methyl-2-pyridinyl)pyridin-2-one;2-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-5-phenylmethoxypyridazin-3-one

1-(9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one;5-[(5-fluoro-2-pyridinyl)methoxy]-2-(9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridazin-3-one;2-(9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)-5-[(6-methyl-3-pyridinyl)methoxy]pyridazin-3-one;1-(9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[(6-methyl-3-pyridinyl)methoxy]pyridin-2-one;1-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-(5-methyl-2-pyridinyl)pyridin-2-one;2-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-5-phenylmethoxypyridazin-3-one (PubChem CID 157373227) has the molecular formula C153H150FN25O11 and a molecular weight of 2534.04 g/mol. Its IUPAC name is 1-(9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one;5-[(5-fluoro-2-pyridinyl)methoxy]-2-(9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridazin-3-one;2-(9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)-5-[(6-methyl-3-pyridinyl)methoxy]pyridazin-3-one;1-(9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[(6-methyl-3-pyridinyl)methoxy]pyridin-2-one;1-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-(5-methyl-2-pyridinyl)pyridin-2-one;2-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-5-phenylmethoxypyridazin-3-one.

Molecular Properties

Compound Name1-(9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one;5-[(5-fluoro-2-pyridinyl)methoxy]-2-(9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridazin-3-one;2-(9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)-5-[(6-methyl-3-pyridinyl)methoxy]pyridazin-3-one;1-(9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[(6-methyl-3-pyridinyl)methoxy]pyridin-2-one;1-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-(5-methyl-2-pyridinyl)pyridin-2-one;2-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-5-phenylmethoxypyridazin-3-one
PubChem CID157373227
Molecular FormulaC153H150FN25O11
Molecular Weight2534.04 g/mol
Exact Mass2532.19
IUPAC Name1-(9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one;5-[(5-fluoro-2-pyridinyl)methoxy]-2-(9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridazin-3-one;2-(9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)-5-[(6-methyl-3-pyridinyl)methoxy]pyridazin-3-one;1-(9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[(6-methyl-3-pyridinyl)methoxy]pyridin-2-one;1-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-(5-methyl-2-pyridinyl)pyridin-2-one;2-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-5-phenylmethoxypyridazin-3-one
SMILESCc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CC3CCC5N3)c(=O)c2)nc1.Cc1ccc(COc2ccn(-c3ccc4c5c(n(C)c4c3)CC3CCCC5N3)c(=O)c2)cn1.Cc1ccc(COc2cnn(-c3ccc4c5c(n(C)c4c3)CC3CCCC5N3)c(=O)c2)cn1.Cn1c2c(c3ccc(-n4ncc(OCc5ccc(F)cn5)cc4=O)cc31)C1CCCC(C2)N1.Cn1c2c(c3ccc(-n4ncc(OCc5ccccc5)cc4=O)cc31)C1CCC(C2)N1.O=c1cc(OCc2ccccc2)ccn1-c1ccc2c3c([nH]c2c1)CC1CCC3N1
InChIInChI=1S/C27H28N4O2.C26H27N5O2.C25H24FN5O2.C25H24N4O2.C25H24N4O.C25H23N3O2/c1-17-6-7-18(15-28-17)16-33-21-10-11-31(26(32)14-21)20-8-9-22-24(13-20)30(2)25-12-19-4-3-5-23(29-19)27(22)25;1-16-6-7-17(13-27-16)15-33-20-12-25(32)31(28-14-20)19-8-9-21-23(11-19)30(2)24-10-18-4-3-5-22(29-18)26(21)24;1-30-22-10-18(7-8-20(22)25-21-4-2-3-16(29-21)9-23(25)30)31-24(32)11-19(13-28-31)33-14-17-6-5-15(26)12-27-17;1-28-22-12-18(8-9-20(22)25-21-10-7-17(27-21)11-23(25)28)29-24(30)13-19(14-26-29)31-15-16-5-3-2-4-6-16;1-15-3-7-20(26-14-15)16-9-10-29(24(30)11-16)18-5-6-19-22(13-18)28(2)23-12-17-4-8-21(27-17)25(19)23;29-24-14-19(30-15-16-4-2-1-3-5-16)10-11-28(24)18-7-8-20-22(13-18)27-23-12-17-6-9-21(26-17)25(20)23/h6-11,13-15,19,23,29H,3-5,12,16H2,1-2H3;6-9,11-14,18,22,29H,3-5,10,15H2,1-2H3;5-8,10-13,16,21,29H,2-4,9,14H2,1H3;2-6,8-9,12-14,17,21,27H,7,10-11,15H2,1H3;3,5-7,9-11,13-14,17,21,27H,4,8,12H2,1-2H3;1-5,7-8,10-11,13-14,17,21,26-27H,6,9,12,15H2
InChIKeyBJZXGLOKTRJCHF-UHFFFAOYSA-N
XLogP23.62
TPSA381.00 Ų
H-Bond Donors7
H-Bond Acceptors35
Rotatable Bonds22
Heavy Atoms190
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002534.04
LogP ≤ 523.62
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 1-(9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one;5-[(5-fluoro-2-pyridinyl)methoxy]-2-(9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridazin-3-one;2-(9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)-5-[(6-methyl-3-pyridinyl)methoxy]pyridazin-3-one;1-(9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[(6-methyl-3-pyridinyl)methoxy]pyridin-2-one;1-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-(5-methyl-2-pyridinyl)pyridin-2-one;2-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-5-phenylmethoxypyridazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one;5-[(5-fluoro-2-pyridinyl)methoxy]-2-(9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridazin-3-one;2-(9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)-5-[(6-methyl-3-pyridinyl)methoxy]pyridazin-3-one;1-(9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[(6-methyl-3-pyridinyl)methoxy]pyridin-2-one;1-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-(5-methyl-2-pyridinyl)pyridin-2-one;2-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-5-phenylmethoxypyridazin-3-one?
The IUPAC name of 1-(9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one;5-[(5-fluoro-2-pyridinyl)methoxy]-2-(9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridazin-3-one;2-(9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)-5-[(6-methyl-3-pyridinyl)methoxy]pyridazin-3-one;1-(9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[(6-methyl-3-pyridinyl)methoxy]pyridin-2-one;1-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-(5-methyl-2-pyridinyl)pyridin-2-one;2-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-5-phenylmethoxypyridazin-3-one (CID 157373227) is 1-(9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one;5-[(5-fluoro-2-pyridinyl)methoxy]-2-(9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridazin-3-one;2-(9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)-5-[(6-methyl-3-pyridinyl)methoxy]pyridazin-3-one;1-(9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[(6-methyl-3-pyridinyl)methoxy]pyridin-2-one;1-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-(5-methyl-2-pyridinyl)pyridin-2-one;2-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-5-phenylmethoxypyridazin-3-one.
What is the SMILES notation for 1-(9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one;5-[(5-fluoro-2-pyridinyl)methoxy]-2-(9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridazin-3-one;2-(9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)-5-[(6-methyl-3-pyridinyl)methoxy]pyridazin-3-one;1-(9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[(6-methyl-3-pyridinyl)methoxy]pyridin-2-one;1-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-(5-methyl-2-pyridinyl)pyridin-2-one;2-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-5-phenylmethoxypyridazin-3-one?
The canonical SMILES for 1-(9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one;5-[(5-fluoro-2-pyridinyl)methoxy]-2-(9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridazin-3-one;2-(9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)-5-[(6-methyl-3-pyridinyl)methoxy]pyridazin-3-one;1-(9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[(6-methyl-3-pyridinyl)methoxy]pyridin-2-one;1-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-(5-methyl-2-pyridinyl)pyridin-2-one;2-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-5-phenylmethoxypyridazin-3-one is Cc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CC3CCC5N3)c(=O)c2)nc1.Cc1ccc(COc2ccn(-c3ccc4c5c(n(C)c4c3)CC3CCCC5N3)c(=O)c2)cn1.Cc1ccc(COc2cnn(-c3ccc4c5c(n(C)c4c3)CC3CCCC5N3)c(=O)c2)cn1.Cn1c2c(c3ccc(-n4ncc(OCc5ccc(F)cn5)cc4=O)cc31)C1CCCC(C2)N1.Cn1c2c(c3ccc(-n4ncc(OCc5ccccc5)cc4=O)cc31)C1CCC(C2)N1.O=c1cc(OCc2ccccc2)ccn1-c1ccc2c3c([nH]c2c1)CC1CCC3N1.
What is the InChIKey of 1-(9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one;5-[(5-fluoro-2-pyridinyl)methoxy]-2-(9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridazin-3-one;2-(9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)-5-[(6-methyl-3-pyridinyl)methoxy]pyridazin-3-one;1-(9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[(6-methyl-3-pyridinyl)methoxy]pyridin-2-one;1-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-(5-methyl-2-pyridinyl)pyridin-2-one;2-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-5-phenylmethoxypyridazin-3-one?
The InChIKey is BJZXGLOKTRJCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2.C26H27N5O2.C25H24FN5O2.C25H24N4O2.C25H24N4O.C25H23N3O2/c1-17-6-7-18(15-28-17)16-33-21-10-11-31(26(32)14-21)20-8-9-22-24(13-20)30(2)25-12-19-4-3-5-23(29-19)27(22)25;1-16-6-7-17(13-27-16)15-33-20-12-25(32)31(28-14-20)19-8-9-21-23(11-19)30(2)24-10-18-4-3-5-22(29-18)26(21)24;1-30-22-10-18(7-8-20(22)25-21-4-2-3-16(29-21)9-23(25)30)31-24(32)11-19(13-28-31)33-14-17-6-5-15(26)12-27-17;1-28-22-12-18(8-9-20(22)25-21-10-7-17(27-21)11-23(25)28)29-24(30)13-19(14-26-29)31-15-16-5-3-2-4-6-16;1-15-3-7-20(26-14-15)16-9-10-29(24(30)11-16)18-5-6-19-22(13-18)28(2)23-12-17-4-8-21(27-17)25(19)23;29-24-14-19(30-15-16-4-2-1-3-5-16)10-11-28(24)18-7-8-20-22(13-18)27-23-12-17-6-9-21(26-17)25(20)23/h6-11,13-15,19,23,29H,3-5,12,16H2,1-2H3;6-9,11-14,18,22,29H,3-5,10,15H2,1-2H3;5-8,10-13,16,21,29H,2-4,9,14H2,1H3;2-6,8-9,12-14,17,21,27H,7,10-11,15H2,1H3;3,5-7,9-11,13-14,17,21,27H,4,8,12H2,1-2H3;1-5,7-8,10-11,13-14,17,21,26-27H,6,9,12,15H2.
What are the key properties of 1-(9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one;5-[(5-fluoro-2-pyridinyl)methoxy]-2-(9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridazin-3-one;2-(9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)-5-[(6-methyl-3-pyridinyl)methoxy]pyridazin-3-one;1-(9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[(6-methyl-3-pyridinyl)methoxy]pyridin-2-one;1-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-(5-methyl-2-pyridinyl)pyridin-2-one;2-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-5-phenylmethoxypyridazin-3-one?
1-(9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one;5-[(5-fluoro-2-pyridinyl)methoxy]-2-(9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridazin-3-one;2-(9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)-5-[(6-methyl-3-pyridinyl)methoxy]pyridazin-3-one;1-(9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[(6-methyl-3-pyridinyl)methoxy]pyridin-2-one;1-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-(5-methyl-2-pyridinyl)pyridin-2-one;2-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-5-phenylmethoxypyridazin-3-one has a molecular weight of 2534.04 g/mol, XLogP of 23.62, 22 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one;5-[(5-fluoro-2-pyridinyl)methoxy]-2-(9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridazin-3-one;2-(9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)-5-[(6-methyl-3-pyridinyl)methoxy]pyridazin-3-one;1-(9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[(6-methyl-3-pyridinyl)methoxy]pyridin-2-one;1-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-(5-methyl-2-pyridinyl)pyridin-2-one;2-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-5-phenylmethoxypyridazin-3-one is sourced from PubChem (CID 157373227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).