2-[2-[6-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5,8-difluoroquinolin-6-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethyl]benzo[h]quinoline

C40H32F2N10 — CID 123825977

IUPAC2-[2-[6-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5,8-difluoroquinolin-6-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethyl]benzo[h]quinoline
SMILESCc1ncc(C)n2nc(CCc3ccc4c(F)c(-c5nc(C)c6nc(CCc7ccc8ccc9ccccc9c8n7)nn6c5C)cc(F)c4n3)nc12
InChIInChI=1S/C40H32F2N10/c1-21-20-43-22(2)39-47-33(49-51(21)39)17-15-28-13-16-30-35(42)31(19-32(41)38(30)46-28)36-24(4)52-40(23(3)44-36)48-34(50-52)18-14-27-12-11-26-10-9-25-7-5-6-8-29(25)37(26)45-27/h5-13,16,19-20H,14-15,17-18H2,1-4H3
InChIKeyOYICESFAUWLPAX-UHFFFAOYSA-N
MW690.76 g/mol
LogP7.56
Rot. Bonds7

About 2-[2-[6-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5,8-difluoroquinolin-6-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethyl]benzo[h]quinoline

2-[2-[6-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5,8-difluoroquinolin-6-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethyl]benzo[h]quinoline (PubChem CID 123825977) has the molecular formula C40H32F2N10 and a molecular weight of 690.76 g/mol. Its IUPAC name is 2-[2-[6-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5,8-difluoroquinolin-6-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethyl]benzo[h]quinoline.

Molecular Properties

Compound Name2-[2-[6-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5,8-difluoroquinolin-6-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethyl]benzo[h]quinoline
PubChem CID123825977
Molecular FormulaC40H32F2N10
Molecular Weight690.76 g/mol
Exact Mass690.28
IUPAC Name2-[2-[6-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5,8-difluoroquinolin-6-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethyl]benzo[h]quinoline
SMILESCc1ncc(C)n2nc(CCc3ccc4c(F)c(-c5nc(C)c6nc(CCc7ccc8ccc9ccccc9c8n7)nn6c5C)cc(F)c4n3)nc12
InChIInChI=1S/C40H32F2N10/c1-21-20-43-22(2)39-47-33(49-51(21)39)17-15-28-13-16-30-35(42)31(19-32(41)38(30)46-28)36-24(4)52-40(23(3)44-36)48-34(50-52)18-14-27-12-11-26-10-9-25-7-5-6-8-29(25)37(26)45-27/h5-13,16,19-20H,14-15,17-18H2,1-4H3
InChIKeyOYICESFAUWLPAX-UHFFFAOYSA-N
XLogP7.56
TPSA111.94 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.76
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-[2-[6-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5,8-difluoroquinolin-6-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethyl]benzo[h]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5,8-difluoroquinolin-6-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethyl]benzo[h]quinoline?
The IUPAC name of 2-[2-[6-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5,8-difluoroquinolin-6-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethyl]benzo[h]quinoline (CID 123825977) is 2-[2-[6-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5,8-difluoroquinolin-6-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethyl]benzo[h]quinoline.
What is the SMILES notation for 2-[2-[6-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5,8-difluoroquinolin-6-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethyl]benzo[h]quinoline?
The canonical SMILES for 2-[2-[6-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5,8-difluoroquinolin-6-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethyl]benzo[h]quinoline is Cc1ncc(C)n2nc(CCc3ccc4c(F)c(-c5nc(C)c6nc(CCc7ccc8ccc9ccccc9c8n7)nn6c5C)cc(F)c4n3)nc12.
What is the InChIKey of 2-[2-[6-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5,8-difluoroquinolin-6-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethyl]benzo[h]quinoline?
The InChIKey is OYICESFAUWLPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H32F2N10/c1-21-20-43-22(2)39-47-33(49-51(21)39)17-15-28-13-16-30-35(42)31(19-32(41)38(30)46-28)36-24(4)52-40(23(3)44-36)48-34(50-52)18-14-27-12-11-26-10-9-25-7-5-6-8-29(25)37(26)45-27/h5-13,16,19-20H,14-15,17-18H2,1-4H3.
What are the key properties of 2-[2-[6-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5,8-difluoroquinolin-6-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethyl]benzo[h]quinoline?
2-[2-[6-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5,8-difluoroquinolin-6-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethyl]benzo[h]quinoline has a molecular weight of 690.76 g/mol, XLogP of 7.56, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5,8-difluoroquinolin-6-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethyl]benzo[h]quinoline is sourced from PubChem (CID 123825977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).