[3-(acetyloxymethyl)-2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-4-pyridinyl]boronic acid;4-chloro-2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[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-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-3-pyridinyl]methyl acetate;4-chloro-6-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyrimidine-5-carbaldehyde;4-chloro-2-(6-fluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(9-fluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(10-fluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;10-[4-chloro-3-(hydroxymethyl)-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-9-one;4-chloro-2-(9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde

C160H130BCl8F3N28O22 — CID 165024495

About [3-(acetyloxymethyl)-2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-4-pyridinyl]boronic acid;4-chloro-2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[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-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-3-pyridinyl]methyl acetate;4-chloro-6-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyrimidine-5-carbaldehyde;4-chloro-2-(6-fluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(9-fluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(10-fluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;10-[4-chloro-3-(hydroxymethyl)-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-9-one;4-chloro-2-(9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde

[3-(acetyloxymethyl)-2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-4-pyridinyl]boronic acid;4-chloro-2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[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-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-3-pyridinyl]methyl acetate;4-chloro-6-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyrimidine-5-carbaldehyde;4-chloro-2-(6-fluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(9-fluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(10-fluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;10-[4-chloro-3-(hydroxymethyl)-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-9-one;4-chloro-2-(9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde (PubChem CID 165024495) has the molecular formula C160H130BCl8F3N28O22 and a molecular weight of 3148.40 g/mol. Its IUPAC name is [3-(acetyloxymethyl)-2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-4-pyridinyl]boronic acid;4-chloro-2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[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-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-3-pyridinyl]methyl acetate;4-chloro-6-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyrimidine-5-carbaldehyde;4-chloro-2-(6-fluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(9-fluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(10-fluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;10-[4-chloro-3-(hydroxymethyl)-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-9-one;4-chloro-2-(9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde.

Molecular Properties

• Compound Name: [3-(acetyloxymethyl)-2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-4-pyridinyl]boronic acid;4-chloro-2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[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-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-3-pyridinyl]methyl acetate;4-chloro-6-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyrimidine-5-carbaldehyde;4-chloro-2-(6-fluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(9-fluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(10-fluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;10-[4-chloro-3-(hydroxymethyl)-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-9-one;4-chloro-2-(9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde
• PubChem CID: 165024495
• Molecular Formula: C160H130BCl8F3N28O22
• Molecular Weight: 3148.40 g/mol
• Exact Mass: 3142.75
• IUPAC Name: [3-(acetyloxymethyl)-2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-4-pyridinyl]boronic acid;4-chloro-2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[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-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-3-pyridinyl]methyl acetate;4-chloro-6-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyrimidine-5-carbaldehyde;4-chloro-2-(6-fluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(9-fluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(10-fluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;10-[4-chloro-3-(hydroxymethyl)-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-9-one;4-chloro-2-(9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde
• SMILES: CC(=O)OCc1c(B(O)O)ccnc1-n1ccn2c3c(cc2c1=O)CC(C)(C)C3.CC(=O)OCc1c(Cl)ccnc1-n1ccn2c3c(cc2c1=O)CC(C)(C)C3.CC1(C)Cc2cc3c(=O)n(-c4nccc(Cl)c4C=O)ccn3c2C1.CC1(C)Cc2cc3c(=O)n(-c4nccc(Cl)c4CO)ccn3c2C1.CC1(C)Cc2cc3c(=O)n(-c4ncnc(Cl)c4C=O)ccn3c2C1.O=Cc1c(Cl)ccnc1-n1ccn2c(c(F)c3ccccc32)c1=O.O=Cc1c(Cl)ccnc1-n1ccn2c(cc3c(F)cccc32)c1=O.O=Cc1c(Cl)ccnc1-n1ccn2c(cc3cccc(F)c32)c1=O.O=Cc1c(Cl)ccnc1-n1ccn2c3c(cc2c1=O)CCC3
• InChI: InChI=1S/C20H22BN3O5.C20H20ClN3O3.C18H18ClN3O2.C18H16ClN3O2.3C17H9ClFN3O2.C17H15ClN4O2.C16H12ClN3O2/c1-12(25)29-11-14-15(21(27)28)4-5-22-18(14)24-7-6-23-16(19(24)26)8-13-9-20(2,3)10-17(13)23;1-12(25)27-11-14-15(21)4-5-22-18(14)24-7-6-23-16(19(24)26)8-13-9-20(2,3)10-17(13)23;2*1-18(2)8-11-7-14-17(24)22(6-5-21(14)15(11)9-18)16-12(10-23)13(19)3-4-20-16;18-12-4-5-20-16(11(12)9-23)22-7-6-21-14-3-1-2-13(19)10(14)8-15(21)17(22)24;18-12-4-5-20-16(11(12)9-23)22-7-6-21-14(17(22)24)8-10-2-1-3-13(19)15(10)21;18-12-5-6-20-16(11(12)9-23)22-8-7-21-13-4-2-1-3-10(13)14(19)15(21)17(22)24;1-17(2)6-10-5-12-16(24)22(4-3-21(12)13(10)7-17)15-11(8-23)14(18)19-9-20-15;17-12-4-5-18-15(11(12)9-21)20-7-6-19-13-3-1-2-10(13)8-14(19)16(20)22/h4-8,27-28H,9-11H2,1-3H3;4-8H,9-11H2,1-3H3;3-7,23H,8-10H2,1-2H3;3-7,10H,8-9H2,1-2H3;3*1-9H;3-5,8-9H,6-7H2,1-2H3;4-9H,1-3H2
• InChIKey: LQXIJYMADKUQEM-UHFFFAOYSA-N
• XLogP: 24.15
• TPSA: 582.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 50
• Rotatable Bonds: 21
• Heavy Atoms: 222
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3148.40
LogP ≤ 5	24.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	50

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 [3-(acetyloxymethyl)-2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-4-pyridinyl]boronic acid;4-chloro-2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[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-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-3-pyridinyl]methyl acetate;4-chloro-6-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyrimidine-5-carbaldehyde;4-chloro-2-(6-fluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(9-fluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(10-fluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;10-[4-chloro-3-(hydroxymethyl)-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-9-one;4-chloro-2-(9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde?

The IUPAC name of [3-(acetyloxymethyl)-2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-4-pyridinyl]boronic acid;4-chloro-2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[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-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-3-pyridinyl]methyl acetate;4-chloro-6-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyrimidine-5-carbaldehyde;4-chloro-2-(6-fluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(9-fluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(10-fluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;10-[4-chloro-3-(hydroxymethyl)-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-9-one;4-chloro-2-(9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde (CID 165024495) is [3-(acetyloxymethyl)-2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-4-pyridinyl]boronic acid;4-chloro-2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[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-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-3-pyridinyl]methyl acetate;4-chloro-6-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyrimidine-5-carbaldehyde;4-chloro-2-(6-fluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(9-fluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(10-fluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;10-[4-chloro-3-(hydroxymethyl)-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-9-one;4-chloro-2-(9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde.

What is the SMILES notation for [3-(acetyloxymethyl)-2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-4-pyridinyl]boronic acid;4-chloro-2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[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-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-3-pyridinyl]methyl acetate;4-chloro-6-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyrimidine-5-carbaldehyde;4-chloro-2-(6-fluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(9-fluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(10-fluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;10-[4-chloro-3-(hydroxymethyl)-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-9-one;4-chloro-2-(9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde?

The canonical SMILES for [3-(acetyloxymethyl)-2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-4-pyridinyl]boronic acid;4-chloro-2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[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-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-3-pyridinyl]methyl acetate;4-chloro-6-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyrimidine-5-carbaldehyde;4-chloro-2-(6-fluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(9-fluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(10-fluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;10-[4-chloro-3-(hydroxymethyl)-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-9-one;4-chloro-2-(9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde is CC(=O)OCc1c(B(O)O)ccnc1-n1ccn2c3c(cc2c1=O)CC(C)(C)C3.CC(=O)OCc1c(Cl)ccnc1-n1ccn2c3c(cc2c1=O)CC(C)(C)C3.CC1(C)Cc2cc3c(=O)n(-c4nccc(Cl)c4C=O)ccn3c2C1.CC1(C)Cc2cc3c(=O)n(-c4nccc(Cl)c4CO)ccn3c2C1.CC1(C)Cc2cc3c(=O)n(-c4ncnc(Cl)c4C=O)ccn3c2C1.O=Cc1c(Cl)ccnc1-n1ccn2c(c(F)c3ccccc32)c1=O.O=Cc1c(Cl)ccnc1-n1ccn2c(cc3c(F)cccc32)c1=O.O=Cc1c(Cl)ccnc1-n1ccn2c(cc3cccc(F)c32)c1=O.O=Cc1c(Cl)ccnc1-n1ccn2c3c(cc2c1=O)CCC3.

What is the InChIKey of [3-(acetyloxymethyl)-2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-4-pyridinyl]boronic acid;4-chloro-2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[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-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-3-pyridinyl]methyl acetate;4-chloro-6-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyrimidine-5-carbaldehyde;4-chloro-2-(6-fluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(9-fluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(10-fluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;10-[4-chloro-3-(hydroxymethyl)-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-9-one;4-chloro-2-(9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde?

The InChIKey is LQXIJYMADKUQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BN3O5.C20H20ClN3O3.C18H18ClN3O2.C18H16ClN3O2.3C17H9ClFN3O2.C17H15ClN4O2.C16H12ClN3O2/c1-12(25)29-11-14-15(21(27)28)4-5-22-18(14)24-7-6-23-16(19(24)26)8-13-9-20(2,3)10-17(13)23;1-12(25)27-11-14-15(21)4-5-22-18(14)24-7-6-23-16(19(24)26)8-13-9-20(2,3)10-17(13)23;2*1-18(2)8-11-7-14-17(24)22(6-5-21(14)15(11)9-18)16-12(10-23)13(19)3-4-20-16;18-12-4-5-20-16(11(12)9-23)22-7-6-21-14-3-1-2-13(19)10(14)8-15(21)17(22)24;18-12-4-5-20-16(11(12)9-23)22-7-6-21-14(17(22)24)8-10-2-1-3-13(19)15(10)21;18-12-5-6-20-16(11(12)9-23)22-8-7-21-13-4-2-1-3-10(13)14(19)15(21)17(22)24;1-17(2)6-10-5-12-16(24)22(4-3-21(12)13(10)7-17)15-11(8-23)14(18)19-9-20-15;17-12-4-5-18-15(11(12)9-21)20-7-6-19-13-3-1-2-10(13)8-14(19)16(20)22/h4-8,27-28H,9-11H2,1-3H3;4-8H,9-11H2,1-3H3;3-7,23H,8-10H2,1-2H3;3-7,10H,8-9H2,1-2H3;3*1-9H;3-5,8-9H,6-7H2,1-2H3;4-9H,1-3H2.

What are the key properties of [3-(acetyloxymethyl)-2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-4-pyridinyl]boronic acid;4-chloro-2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[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-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-3-pyridinyl]methyl acetate;4-chloro-6-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyrimidine-5-carbaldehyde;4-chloro-2-(6-fluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(9-fluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(10-fluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;10-[4-chloro-3-(hydroxymethyl)-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-9-one;4-chloro-2-(9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde?

[3-(acetyloxymethyl)-2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-4-pyridinyl]boronic acid;4-chloro-2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[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-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-3-pyridinyl]methyl acetate;4-chloro-6-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyrimidine-5-carbaldehyde;4-chloro-2-(6-fluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(9-fluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(10-fluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;10-[4-chloro-3-(hydroxymethyl)-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-9-one;4-chloro-2-(9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde has a molecular weight of 3148.40 g/mol, XLogP of 24.15, 21 rotatable bonds, 3 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(acetyloxymethyl)-2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-4-pyridinyl]boronic acid;4-chloro-2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[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-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)-3-pyridinyl]methyl acetate;4-chloro-6-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyrimidine-5-carbaldehyde;4-chloro-2-(6-fluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(9-fluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;4-chloro-2-(10-fluoro-1-oxopyrazino[1,2-a]indol-2-yl)pyridine-3-carbaldehyde;10-[4-chloro-3-(hydroxymethyl)-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-9-one;4-chloro-2-(9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-10-yl)pyridine-3-carbaldehyde is sourced from PubChem (CID 165024495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).