10-(3-acetyl-4-chloro-2-pyridinyl)-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-9-one;[4-(acetyloxymethyl)-5-(4,4-dimethyl-9-oxo-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-3-pyridinyl]boronic acid;3-bromo-5-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-4-carbaldehyde;4-chloro-2-(4-methyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde;4-chloro-2-(8-methyl-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(8-methyl-1-oxo-6,7,8,9-tetrahydropyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;10-(4-chloro-3-methyl-2-pyridinyl)-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-9-one;4-chloro-2-(6-oxo-2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,7-trien-5-yl)pyridine-3-carbaldehyde;4-chloro-2-(10-oxo-5-oxa-1,11-diazatricyclo[7.4.0.02,7]trideca-2(7),8,12-trien-11-yl)pyridine-3-carbaldehyde

C161H143BBrCl7N28O21 — CID 164958515

About 10-(3-acetyl-4-chloro-2-pyridinyl)-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-9-one;[4-(acetyloxymethyl)-5-(4,4-dimethyl-9-oxo-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-3-pyridinyl]boronic acid;3-bromo-5-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-4-carbaldehyde;4-chloro-2-(4-methyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde;4-chloro-2-(8-methyl-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(8-methyl-1-oxo-6,7,8,9-tetrahydropyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;10-(4-chloro-3-methyl-2-pyridinyl)-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-9-one;4-chloro-2-(6-oxo-2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,7-trien-5-yl)pyridine-3-carbaldehyde;4-chloro-2-(10-oxo-5-oxa-1,11-diazatricyclo[7.4.0.02,7]trideca-2(7),8,12-trien-11-yl)pyridine-3-carbaldehyde

10-(3-acetyl-4-chloro-2-pyridinyl)-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-9-one;[4-(acetyloxymethyl)-5-(4,4-dimethyl-9-oxo-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-3-pyridinyl]boronic acid;3-bromo-5-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-4-carbaldehyde;4-chloro-2-(4-methyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde;4-chloro-2-(8-methyl-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(8-methyl-1-oxo-6,7,8,9-tetrahydropyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;10-(4-chloro-3-methyl-2-pyridinyl)-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-9-one;4-chloro-2-(6-oxo-2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,7-trien-5-yl)pyridine-3-carbaldehyde;4-chloro-2-(10-oxo-5-oxa-1,11-diazatricyclo[7.4.0.02,7]trideca-2(7),8,12-trien-11-yl)pyridine-3-carbaldehyde (PubChem CID 164958515) has the molecular formula C161H143BBrCl7N28O21 and a molecular weight of 3144.98 g/mol. Its IUPAC name is 10-(3-acetyl-4-chloro-2-pyridinyl)-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-9-one;[4-(acetyloxymethyl)-5-(4,4-dimethyl-9-oxo-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-3-pyridinyl]boronic acid;3-bromo-5-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-4-carbaldehyde;4-chloro-2-(4-methyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde;4-chloro-2-(8-methyl-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(8-methyl-1-oxo-6,7,8,9-tetrahydropyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;10-(4-chloro-3-methyl-2-pyridinyl)-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-9-one;4-chloro-2-(6-oxo-2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,7-trien-5-yl)pyridine-3-carbaldehyde;4-chloro-2-(10-oxo-5-oxa-1,11-diazatricyclo[7.4.0.02,7]trideca-2(7),8,12-trien-11-yl)pyridine-3-carbaldehyde.

Molecular Properties

• Compound Name: 10-(3-acetyl-4-chloro-2-pyridinyl)-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-9-one;[4-(acetyloxymethyl)-5-(4,4-dimethyl-9-oxo-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-3-pyridinyl]boronic acid;3-bromo-5-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-4-carbaldehyde;4-chloro-2-(4-methyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde;4-chloro-2-(8-methyl-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(8-methyl-1-oxo-6,7,8,9-tetrahydropyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;10-(4-chloro-3-methyl-2-pyridinyl)-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-9-one;4-chloro-2-(6-oxo-2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,7-trien-5-yl)pyridine-3-carbaldehyde;4-chloro-2-(10-oxo-5-oxa-1,11-diazatricyclo[7.4.0.02,7]trideca-2(7),8,12-trien-11-yl)pyridine-3-carbaldehyde
• PubChem CID: 164958515
• Molecular Formula: C161H143BBrCl7N28O21
• Molecular Weight: 3144.98 g/mol
• Exact Mass: 3138.81
• IUPAC Name: 10-(3-acetyl-4-chloro-2-pyridinyl)-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-9-one;[4-(acetyloxymethyl)-5-(4,4-dimethyl-9-oxo-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-3-pyridinyl]boronic acid;3-bromo-5-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-4-carbaldehyde;4-chloro-2-(4-methyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde;4-chloro-2-(8-methyl-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(8-methyl-1-oxo-6,7,8,9-tetrahydropyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;10-(4-chloro-3-methyl-2-pyridinyl)-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-9-one;4-chloro-2-(6-oxo-2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,7-trien-5-yl)pyridine-3-carbaldehyde;4-chloro-2-(10-oxo-5-oxa-1,11-diazatricyclo[7.4.0.02,7]trideca-2(7),8,12-trien-11-yl)pyridine-3-carbaldehyde
• SMILES: CC(=O)OCc1c(B(O)O)cncc1-n1ncn2c3c(cc2c1=O)CC(C)(C)C3.CC(=O)c1c(Cl)ccnc1-n1ccn2c3c(cc2c1=O)CC(C)(C)C3.CC1(C)Cc2cc3c(=O)n(-c4cncc(Br)c4C=O)ccn3c2C1.CC1CCc2c(cc3c(=O)n(-c4nccc(Cl)c4C=O)ccn23)C1.CC1Cc2cc3c(=O)n(-c4nccc(Cl)c4C=O)ccn3c2C1.Cc1c(Cl)ccnc1-n1ccn2c3c(cc2c1=O)CC(C)(C)C3.Cc1ccc2c(c1)cc1c(=O)n(-c3nccc(Cl)c3C=O)ccn12.O=Cc1c(Cl)ccnc1-n1ccn2c3c(cc2c1=O)CCCCC3.O=Cc1c(Cl)ccnc1-n1ccn2c3c(cc2c1=O)COCC3
• InChI: InChI=1S/C19H21BN4O5.C19H18ClN3O2.C18H16BrN3O2.C18H16ClN3O2.C18H12ClN3O2.C18H16ClN3O2.C18H18ClN3O.C17H14ClN3O2.C16H12ClN3O3/c1-11(25)29-9-13-14(20(27)28)7-21-8-17(13)24-18(26)15-4-12-5-19(2,3)6-16(12)23(15)10-22-24;1-11(24)16-13(20)4-5-21-17(16)23-7-6-22-14(18(23)25)8-12-9-19(2,3)10-15(12)22;1-18(2)6-11-5-14-17(24)22(4-3-21(14)15(11)7-18)16-9-20-8-13(19)12(16)10-23;2*1-11-2-3-15-12(8-11)9-16-18(24)22(7-6-21(15)16)17-13(10-23)14(19)4-5-20-17;19-14-6-7-20-17(13(14)11-23)22-9-8-21-15-5-3-1-2-4-12(15)10-16(21)18(22)24;1-11-13(19)4-5-20-16(11)22-7-6-21-14(17(22)23)8-12-9-18(2,3)10-15(12)21;1-10-6-11-8-15-17(23)21(5-4-20(15)14(11)7-10)16-12(9-22)13(18)2-3-19-16;17-12-1-3-18-15(11(12)8-21)20-5-4-19-13-2-6-23-9-10(13)7-14(19)16(20)22/h4,7-8,10,27-28H,5-6,9H2,1-3H3;4-8H,9-10H2,1-3H3;3-5,8-10H,6-7H2,1-2H3;4-7,9-11H,2-3,8H2,1H3;2-10H,1H3;6-11H,1-5H2;4-8H,9-10H2,1-3H3;2-5,8-10H,6-7H2,1H3;1,3-5,7-8H,2,6,9H2
• InChIKey: BMUIFYXKKPDJMC-UHFFFAOYSA-N
• XLogP: 24.39
• TPSA: 562.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 49
• Rotatable Bonds: 19
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3144.98
LogP ≤ 5	24.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-(3-acetyl-4-chloro-2-pyridinyl)-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-9-one;[4-(acetyloxymethyl)-5-(4,4-dimethyl-9-oxo-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-3-pyridinyl]boronic acid;3-bromo-5-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-4-carbaldehyde;4-chloro-2-(4-methyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde;4-chloro-2-(8-methyl-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(8-methyl-1-oxo-6,7,8,9-tetrahydropyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;10-(4-chloro-3-methyl-2-pyridinyl)-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-9-one;4-chloro-2-(6-oxo-2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,7-trien-5-yl)pyridine-3-carbaldehyde;4-chloro-2-(10-oxo-5-oxa-1,11-diazatricyclo[7.4.0.02,7]trideca-2(7),8,12-trien-11-yl)pyridine-3-carbaldehyde?

The IUPAC name of 10-(3-acetyl-4-chloro-2-pyridinyl)-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-9-one;[4-(acetyloxymethyl)-5-(4,4-dimethyl-9-oxo-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-3-pyridinyl]boronic acid;3-bromo-5-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-4-carbaldehyde;4-chloro-2-(4-methyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde;4-chloro-2-(8-methyl-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(8-methyl-1-oxo-6,7,8,9-tetrahydropyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;10-(4-chloro-3-methyl-2-pyridinyl)-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-9-one;4-chloro-2-(6-oxo-2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,7-trien-5-yl)pyridine-3-carbaldehyde;4-chloro-2-(10-oxo-5-oxa-1,11-diazatricyclo[7.4.0.02,7]trideca-2(7),8,12-trien-11-yl)pyridine-3-carbaldehyde (CID 164958515) is 10-(3-acetyl-4-chloro-2-pyridinyl)-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-9-one;[4-(acetyloxymethyl)-5-(4,4-dimethyl-9-oxo-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-3-pyridinyl]boronic acid;3-bromo-5-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-4-carbaldehyde;4-chloro-2-(4-methyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde;4-chloro-2-(8-methyl-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(8-methyl-1-oxo-6,7,8,9-tetrahydropyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;10-(4-chloro-3-methyl-2-pyridinyl)-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-9-one;4-chloro-2-(6-oxo-2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,7-trien-5-yl)pyridine-3-carbaldehyde;4-chloro-2-(10-oxo-5-oxa-1,11-diazatricyclo[7.4.0.02,7]trideca-2(7),8,12-trien-11-yl)pyridine-3-carbaldehyde.

What is the SMILES notation for 10-(3-acetyl-4-chloro-2-pyridinyl)-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-9-one;[4-(acetyloxymethyl)-5-(4,4-dimethyl-9-oxo-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-3-pyridinyl]boronic acid;3-bromo-5-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-4-carbaldehyde;4-chloro-2-(4-methyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde;4-chloro-2-(8-methyl-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(8-methyl-1-oxo-6,7,8,9-tetrahydropyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;10-(4-chloro-3-methyl-2-pyridinyl)-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-9-one;4-chloro-2-(6-oxo-2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,7-trien-5-yl)pyridine-3-carbaldehyde;4-chloro-2-(10-oxo-5-oxa-1,11-diazatricyclo[7.4.0.02,7]trideca-2(7),8,12-trien-11-yl)pyridine-3-carbaldehyde?

The canonical SMILES for 10-(3-acetyl-4-chloro-2-pyridinyl)-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-9-one;[4-(acetyloxymethyl)-5-(4,4-dimethyl-9-oxo-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-3-pyridinyl]boronic acid;3-bromo-5-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-4-carbaldehyde;4-chloro-2-(4-methyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde;4-chloro-2-(8-methyl-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(8-methyl-1-oxo-6,7,8,9-tetrahydropyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;10-(4-chloro-3-methyl-2-pyridinyl)-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-9-one;4-chloro-2-(6-oxo-2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,7-trien-5-yl)pyridine-3-carbaldehyde;4-chloro-2-(10-oxo-5-oxa-1,11-diazatricyclo[7.4.0.02,7]trideca-2(7),8,12-trien-11-yl)pyridine-3-carbaldehyde is CC(=O)OCc1c(B(O)O)cncc1-n1ncn2c3c(cc2c1=O)CC(C)(C)C3.CC(=O)c1c(Cl)ccnc1-n1ccn2c3c(cc2c1=O)CC(C)(C)C3.CC1(C)Cc2cc3c(=O)n(-c4cncc(Br)c4C=O)ccn3c2C1.CC1CCc2c(cc3c(=O)n(-c4nccc(Cl)c4C=O)ccn23)C1.CC1Cc2cc3c(=O)n(-c4nccc(Cl)c4C=O)ccn3c2C1.Cc1c(Cl)ccnc1-n1ccn2c3c(cc2c1=O)CC(C)(C)C3.Cc1ccc2c(c1)cc1c(=O)n(-c3nccc(Cl)c3C=O)ccn12.O=Cc1c(Cl)ccnc1-n1ccn2c3c(cc2c1=O)CCCCC3.O=Cc1c(Cl)ccnc1-n1ccn2c3c(cc2c1=O)COCC3.

What is the InChIKey of 10-(3-acetyl-4-chloro-2-pyridinyl)-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-9-one;[4-(acetyloxymethyl)-5-(4,4-dimethyl-9-oxo-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-3-pyridinyl]boronic acid;3-bromo-5-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-4-carbaldehyde;4-chloro-2-(4-methyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde;4-chloro-2-(8-methyl-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(8-methyl-1-oxo-6,7,8,9-tetrahydropyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;10-(4-chloro-3-methyl-2-pyridinyl)-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-9-one;4-chloro-2-(6-oxo-2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,7-trien-5-yl)pyridine-3-carbaldehyde;4-chloro-2-(10-oxo-5-oxa-1,11-diazatricyclo[7.4.0.02,7]trideca-2(7),8,12-trien-11-yl)pyridine-3-carbaldehyde?

The InChIKey is BMUIFYXKKPDJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BN4O5.C19H18ClN3O2.C18H16BrN3O2.C18H16ClN3O2.C18H12ClN3O2.C18H16ClN3O2.C18H18ClN3O.C17H14ClN3O2.C16H12ClN3O3/c1-11(25)29-9-13-14(20(27)28)7-21-8-17(13)24-18(26)15-4-12-5-19(2,3)6-16(12)23(15)10-22-24;1-11(24)16-13(20)4-5-21-17(16)23-7-6-22-14(18(23)25)8-12-9-19(2,3)10-15(12)22;1-18(2)6-11-5-14-17(24)22(4-3-21(14)15(11)7-18)16-9-20-8-13(19)12(16)10-23;2*1-11-2-3-15-12(8-11)9-16-18(24)22(7-6-21(15)16)17-13(10-23)14(19)4-5-20-17;19-14-6-7-20-17(13(14)11-23)22-9-8-21-15-5-3-1-2-4-12(15)10-16(21)18(22)24;1-11-13(19)4-5-20-16(11)22-7-6-21-14(17(22)23)8-12-9-18(2,3)10-15(12)21;1-10-6-11-8-15-17(23)21(5-4-20(15)14(11)7-10)16-12(9-22)13(18)2-3-19-16;17-12-1-3-18-15(11(12)8-21)20-5-4-19-13-2-6-23-9-10(13)7-14(19)16(20)22/h4,7-8,10,27-28H,5-6,9H2,1-3H3;4-8H,9-10H2,1-3H3;3-5,8-10H,6-7H2,1-2H3;4-7,9-11H,2-3,8H2,1H3;2-10H,1H3;6-11H,1-5H2;4-8H,9-10H2,1-3H3;2-5,8-10H,6-7H2,1H3;1,3-5,7-8H,2,6,9H2.

What are the key properties of 10-(3-acetyl-4-chloro-2-pyridinyl)-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-9-one;[4-(acetyloxymethyl)-5-(4,4-dimethyl-9-oxo-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-3-pyridinyl]boronic acid;3-bromo-5-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-4-carbaldehyde;4-chloro-2-(4-methyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde;4-chloro-2-(8-methyl-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(8-methyl-1-oxo-6,7,8,9-tetrahydropyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;10-(4-chloro-3-methyl-2-pyridinyl)-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-9-one;4-chloro-2-(6-oxo-2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,7-trien-5-yl)pyridine-3-carbaldehyde;4-chloro-2-(10-oxo-5-oxa-1,11-diazatricyclo[7.4.0.02,7]trideca-2(7),8,12-trien-11-yl)pyridine-3-carbaldehyde?

10-(3-acetyl-4-chloro-2-pyridinyl)-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-9-one;[4-(acetyloxymethyl)-5-(4,4-dimethyl-9-oxo-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-3-pyridinyl]boronic acid;3-bromo-5-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-4-carbaldehyde;4-chloro-2-(4-methyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde;4-chloro-2-(8-methyl-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(8-methyl-1-oxo-6,7,8,9-tetrahydropyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;10-(4-chloro-3-methyl-2-pyridinyl)-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-9-one;4-chloro-2-(6-oxo-2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,7-trien-5-yl)pyridine-3-carbaldehyde;4-chloro-2-(10-oxo-5-oxa-1,11-diazatricyclo[7.4.0.02,7]trideca-2(7),8,12-trien-11-yl)pyridine-3-carbaldehyde has a molecular weight of 3144.98 g/mol, XLogP of 24.39, 19 rotatable bonds, 2 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(3-acetyl-4-chloro-2-pyridinyl)-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-9-one;[4-(acetyloxymethyl)-5-(4,4-dimethyl-9-oxo-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-3-pyridinyl]boronic acid;3-bromo-5-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-4-carbaldehyde;4-chloro-2-(4-methyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde;4-chloro-2-(8-methyl-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(8-methyl-1-oxo-6,7,8,9-tetrahydropyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;10-(4-chloro-3-methyl-2-pyridinyl)-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-9-one;4-chloro-2-(6-oxo-2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,7-trien-5-yl)pyridine-3-carbaldehyde;4-chloro-2-(10-oxo-5-oxa-1,11-diazatricyclo[7.4.0.02,7]trideca-2(7),8,12-trien-11-yl)pyridine-3-carbaldehyde is sourced from PubChem (CID 164958515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).