11-cyclopropyl-8-(2,4-dimethylphenyl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,12-pentaen-10-one;11-cyclopropyl-8-(2,4-dimethylphenyl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;11-cyclopropyl-8-furo[3,2-b]pyridin-6-yl-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;ethane

C66H68N10O4 — CID 145209719

IUPAC11-cyclopropyl-8-(2,4-dimethylphenyl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,12-pentaen-10-one;11-cyclopropyl-8-(2,4-dimethylphenyl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;11-cyclopropyl-8-furo[3,2-b]pyridin-6-yl-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;ethane
SMILESCC.CC.Cc1ccc(-c2c3n(c4cccnc24)CCN(C2CC2)C3=O)c(C)c1.Cc1ccc(-c2c3ncccc3n3ccn(C4CC4)c(=O)c23)c(C)c1.O=C1c2c(-c3cnc4ccoc4c3)c3ncccc3n2CCN1C1CC1
InChIInChI=1S/C21H21N3O.C21H19N3O.C20H16N4O2.2C2H6/c2*1-13-5-8-16(14(2)12-13)18-19-17(4-3-9-22-19)24-11-10-23(15-6-7-15)21(25)20(18)24;25-20-19-17(12-10-16-14(22-11-12)5-9-26-16)18-15(2-1-6-21-18)24(19)8-7-23(20)13-3-4-13;2*1-2/h3-5,8-9,12,15H,6-7,10-11H2,1-2H3;3-5,8-12,15H,6-7H2,1-2H3;1-2,5-6,9-11,13H,3-4,7-8H2;2*1-2H3
InChIKeyPXNNFNVSNBLONW-UHFFFAOYSA-N
MW1065.34 g/mol
LogP13.72
Rot. Bonds6

About 11-cyclopropyl-8-(2,4-dimethylphenyl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,12-pentaen-10-one;11-cyclopropyl-8-(2,4-dimethylphenyl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;11-cyclopropyl-8-furo[3,2-b]pyridin-6-yl-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;ethane

11-cyclopropyl-8-(2,4-dimethylphenyl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,12-pentaen-10-one;11-cyclopropyl-8-(2,4-dimethylphenyl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;11-cyclopropyl-8-furo[3,2-b]pyridin-6-yl-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;ethane (PubChem CID 145209719) has the molecular formula C66H68N10O4 and a molecular weight of 1065.34 g/mol. Its IUPAC name is 11-cyclopropyl-8-(2,4-dimethylphenyl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,12-pentaen-10-one;11-cyclopropyl-8-(2,4-dimethylphenyl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;11-cyclopropyl-8-furo[3,2-b]pyridin-6-yl-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;ethane.

Molecular Properties

Compound Name11-cyclopropyl-8-(2,4-dimethylphenyl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,12-pentaen-10-one;11-cyclopropyl-8-(2,4-dimethylphenyl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;11-cyclopropyl-8-furo[3,2-b]pyridin-6-yl-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;ethane
PubChem CID145209719
Molecular FormulaC66H68N10O4
Molecular Weight1065.34 g/mol
Exact Mass1064.54
IUPAC Name11-cyclopropyl-8-(2,4-dimethylphenyl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,12-pentaen-10-one;11-cyclopropyl-8-(2,4-dimethylphenyl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;11-cyclopropyl-8-furo[3,2-b]pyridin-6-yl-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;ethane
SMILESCC.CC.Cc1ccc(-c2c3n(c4cccnc24)CCN(C2CC2)C3=O)c(C)c1.Cc1ccc(-c2c3ncccc3n3ccn(C4CC4)c(=O)c23)c(C)c1.O=C1c2c(-c3cnc4ccoc4c3)c3ncccc3n2CCN1C1CC1
InChIInChI=1S/C21H21N3O.C21H19N3O.C20H16N4O2.2C2H6/c2*1-13-5-8-16(14(2)12-13)18-19-17(4-3-9-22-19)24-11-10-23(15-6-7-15)21(25)20(18)24;25-20-19-17(12-10-16-14(22-11-12)5-9-26-16)18-15(2-1-6-21-18)24(19)8-7-23(20)13-3-4-13;2*1-2/h3-5,8-9,12,15H,6-7,10-11H2,1-2H3;3-5,8-12,15H,6-7H2,1-2H3;1-2,5-6,9-11,13H,3-4,7-8H2;2*1-2H3
InChIKeyPXNNFNVSNBLONW-UHFFFAOYSA-N
XLogP13.72
TPSA141.59 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001065.34
LogP ≤ 513.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 11-cyclopropyl-8-(2,4-dimethylphenyl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,12-pentaen-10-one;11-cyclopropyl-8-(2,4-dimethylphenyl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;11-cyclopropyl-8-furo[3,2-b]pyridin-6-yl-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;ethane with MolForge

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Related Compounds

US11472805, Example 64
CID 124148149
CID 158849447
CID 158849447
8-[2-[2-[3,5-Bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]-2-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)phenyl]phenyl]phenyl]phenyl]-5-[5-[4-[2-[3-[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]-2-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)phenyl]phenyl]-5-[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]-2-(2-methyl-[1]benzofuro[2,3-c]pyridin-2-ium-8-yl)phenyl]phenyl]phenyl]phenyl]-3-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)phenyl]pyrazin-2-yl]phenyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 141692723
2-[2-(1,3-Benzoxazol-2-yl)-3,4,5,6-tetrakis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine
CID 23391275
2-[4-[2,3,4,5,6-Pentakis[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine
CID 23391316
2-[4-[2,4,5-Tris[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine
CID 23391318
4,6,10,12-Tetrakis(5-phenylpyrido[4,3-b]indol-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58059088
6,10-Bis(5-phenylpyrido[4,3-b]indol-8-yl)-4,12-bis[3-(5-phenylpyrido[4,3-b]indol-8-yl)phenyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58099557
8-(3,8,13-Triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-4-[5-[6-[8-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-b]pyridin-4-yl]pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[4,3-b]indol-8-yl]-[1]benzofuro[3,2-b]pyridine
CID 58099614
8-[9-(2-Pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]-6-[3-[6-[8-(2-pyridin-2-ylphenyl)pyrido[4,3-b]indol-5-yl]dibenzofuran-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 58099743
8-(4,8,11-Triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-6-[3-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 58099807
2-[2,3,4,5,6-Pentakis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-c]pyridine
CID 59194304

Frequently Asked Questions

What is the IUPAC name of 11-cyclopropyl-8-(2,4-dimethylphenyl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,12-pentaen-10-one;11-cyclopropyl-8-(2,4-dimethylphenyl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;11-cyclopropyl-8-furo[3,2-b]pyridin-6-yl-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;ethane?
The IUPAC name of 11-cyclopropyl-8-(2,4-dimethylphenyl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,12-pentaen-10-one;11-cyclopropyl-8-(2,4-dimethylphenyl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;11-cyclopropyl-8-furo[3,2-b]pyridin-6-yl-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;ethane (CID 145209719) is 11-cyclopropyl-8-(2,4-dimethylphenyl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,12-pentaen-10-one;11-cyclopropyl-8-(2,4-dimethylphenyl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;11-cyclopropyl-8-furo[3,2-b]pyridin-6-yl-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;ethane.
What is the SMILES notation for 11-cyclopropyl-8-(2,4-dimethylphenyl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,12-pentaen-10-one;11-cyclopropyl-8-(2,4-dimethylphenyl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;11-cyclopropyl-8-furo[3,2-b]pyridin-6-yl-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;ethane?
The canonical SMILES for 11-cyclopropyl-8-(2,4-dimethylphenyl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,12-pentaen-10-one;11-cyclopropyl-8-(2,4-dimethylphenyl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;11-cyclopropyl-8-furo[3,2-b]pyridin-6-yl-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;ethane is CC.CC.Cc1ccc(-c2c3n(c4cccnc24)CCN(C2CC2)C3=O)c(C)c1.Cc1ccc(-c2c3ncccc3n3ccn(C4CC4)c(=O)c23)c(C)c1.O=C1c2c(-c3cnc4ccoc4c3)c3ncccc3n2CCN1C1CC1.
What is the InChIKey of 11-cyclopropyl-8-(2,4-dimethylphenyl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,12-pentaen-10-one;11-cyclopropyl-8-(2,4-dimethylphenyl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;11-cyclopropyl-8-furo[3,2-b]pyridin-6-yl-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;ethane?
The InChIKey is PXNNFNVSNBLONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O.C21H19N3O.C20H16N4O2.2C2H6/c2*1-13-5-8-16(14(2)12-13)18-19-17(4-3-9-22-19)24-11-10-23(15-6-7-15)21(25)20(18)24;25-20-19-17(12-10-16-14(22-11-12)5-9-26-16)18-15(2-1-6-21-18)24(19)8-7-23(20)13-3-4-13;2*1-2/h3-5,8-9,12,15H,6-7,10-11H2,1-2H3;3-5,8-12,15H,6-7H2,1-2H3;1-2,5-6,9-11,13H,3-4,7-8H2;2*1-2H3.
What are the key properties of 11-cyclopropyl-8-(2,4-dimethylphenyl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,12-pentaen-10-one;11-cyclopropyl-8-(2,4-dimethylphenyl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;11-cyclopropyl-8-furo[3,2-b]pyridin-6-yl-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;ethane?
11-cyclopropyl-8-(2,4-dimethylphenyl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,12-pentaen-10-one;11-cyclopropyl-8-(2,4-dimethylphenyl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;11-cyclopropyl-8-furo[3,2-b]pyridin-6-yl-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;ethane has a molecular weight of 1065.34 g/mol, XLogP of 13.72, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 11-cyclopropyl-8-(2,4-dimethylphenyl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,12-pentaen-10-one;11-cyclopropyl-8-(2,4-dimethylphenyl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;11-cyclopropyl-8-furo[3,2-b]pyridin-6-yl-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;ethane is sourced from PubChem (CID 145209719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).