8-(4-imidazo[2,1-a]isoquinolin-7-ylphenyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C27H17N5 — CID 58517960

IUPAC8-(4-imidazo[2,1-a]isoquinolin-7-ylphenyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1cc(-c2ccc(-n3c4ccncc4c4cnccc43)cc2)c2ccn3ccnc3c2c1
InChIInChI=1S/C27H17N5/c1-2-20(21-10-14-31-15-13-30-27(31)22(21)3-1)18-4-6-19(7-5-18)32-25-8-11-28-16-23(25)24-17-29-12-9-26(24)32/h1-17H
InChIKeyZOAPYHZASIFILI-UHFFFAOYSA-N
MW411.47 g/mol
LogP6.04
Rot. Bonds2

About 8-(4-imidazo[2,1-a]isoquinolin-7-ylphenyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

8-(4-imidazo[2,1-a]isoquinolin-7-ylphenyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 58517960) has the molecular formula C27H17N5 and a molecular weight of 411.47 g/mol. Its IUPAC name is 8-(4-imidazo[2,1-a]isoquinolin-7-ylphenyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name8-(4-imidazo[2,1-a]isoquinolin-7-ylphenyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID58517960
Molecular FormulaC27H17N5
Molecular Weight411.47 g/mol
Exact Mass411.15
IUPAC Name8-(4-imidazo[2,1-a]isoquinolin-7-ylphenyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1cc(-c2ccc(-n3c4ccncc4c4cnccc43)cc2)c2ccn3ccnc3c2c1
InChIInChI=1S/C27H17N5/c1-2-20(21-10-14-31-15-13-30-27(31)22(21)3-1)18-4-6-19(7-5-18)32-25-8-11-28-16-23(25)24-17-29-12-9-26(24)32/h1-17H
InChIKeyZOAPYHZASIFILI-UHFFFAOYSA-N
XLogP6.04
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.47
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-(4-imidazo[2,1-a]isoquinolin-7-ylphenyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Related Compounds

7-(4-carbazol-9-ylphenyl)imidazo[2,1-a]isoquinoline
CID 58517577
5-[4-(4-naphthalen-1-yl-6-pyridin-3-yl-2-pyridinyl)phenyl]pyrido[4,3-b]indole
CID 59325982
8-phenyl-5-[4-(6-pyrido[4,3-b]indol-5-ylpyrido[2,3-b]indol-9-yl)phenyl]pyrido[4,3-b]indole
CID 170061041
5-[4-[[4-[4-[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]phenyl]phenyl]methyl]phenyl]pyrido[4,3-b]indole
CID 59344150
7-chloroimidazo[2,1-a]isoquinoline
CID 58517958
5-[4-[6-[6-(4-pyrido[3,2-b]indol-5-ylphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole
CID 58098979
18,28-diphenyl-5,8,12,18,28-pentazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.021,29.022,27]hentriaconta-1,3(15),4,6,9(14),10,12,16,19(31),20,22,24,26,29-tetradecaene
CID 157379128
7-quinolin-8-ylimidazo[2,1-a]isoquinoline
CID 58517751
8-[4-[4-[(4-carbazol-9-ylphenyl)methyl]phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4-[4-[[4-(4-carbazol-9-ylphenyl)phenyl]methyl]phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-[4-[4-[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]phenyl]phenyl]pyrido[4,3-b]indole;5-[4-[4-[[4-(4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]methyl]phenyl]phenyl]pyrido[4,3-b]indole;8-[4-[[4-[4-[[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]methyl]phenyl]phenyl]methyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4-[4-[[4-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]methyl]phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[6-[[4-[[5-(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-2-pyridinyl]methyl]phenyl]methyl]-3-pyridinyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 158352036
9-phenyl-9,15,18,22-tetrazahexacyclo[11.11.0.02,10.03,8.014,18.019,24]tetracosa-1(13),2(10),3,5,7,11,14,16,19(24),20,22-undecaene
CID 157242233
8-[4-[(4-carbazol-9-ylphenyl)methyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 59344139
8-[4-(4-methylphenyl)phenyl]-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 143216225

Frequently Asked Questions

What is the IUPAC name of 8-(4-imidazo[2,1-a]isoquinolin-7-ylphenyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 8-(4-imidazo[2,1-a]isoquinolin-7-ylphenyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 58517960) is 8-(4-imidazo[2,1-a]isoquinolin-7-ylphenyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 8-(4-imidazo[2,1-a]isoquinolin-7-ylphenyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 8-(4-imidazo[2,1-a]isoquinolin-7-ylphenyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is c1cc(-c2ccc(-n3c4ccncc4c4cnccc43)cc2)c2ccn3ccnc3c2c1.
What is the InChIKey of 8-(4-imidazo[2,1-a]isoquinolin-7-ylphenyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is ZOAPYHZASIFILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17N5/c1-2-20(21-10-14-31-15-13-30-27(31)22(21)3-1)18-4-6-19(7-5-18)32-25-8-11-28-16-23(25)24-17-29-12-9-26(24)32/h1-17H.
What are the key properties of 8-(4-imidazo[2,1-a]isoquinolin-7-ylphenyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
8-(4-imidazo[2,1-a]isoquinolin-7-ylphenyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 411.47 g/mol, XLogP of 6.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-imidazo[2,1-a]isoquinolin-7-ylphenyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 58517960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).