2-[3,5-bis[3-(2-methylphenyl)pyrido[2,3-b]pyrazin-2-yl]phenyl]-3-(2-methylphenyl)pyrido[2,3-b]pyrazine

C48H33N9 — CID 23391346

IUPAC2-[3,5-bis[3-(2-methylphenyl)pyrido[2,3-b]pyrazin-2-yl]phenyl]-3-(2-methylphenyl)pyrido[2,3-b]pyrazine
SMILESCc1ccccc1-c1nc2ncccc2nc1-c1cc(-c2nc3cccnc3nc2-c2ccccc2C)cc(-c2nc3cccnc3nc2-c2ccccc2C)c1
InChIInChI=1S/C48H33N9/c1-28-13-4-7-16-34(28)43-40(52-37-19-10-22-49-46(37)55-43)31-25-32(41-44(35-17-8-5-14-29(35)2)56-47-38(53-41)20-11-23-50-47)27-33(26-31)42-45(36-18-9-6-15-30(36)3)57-48-39(54-42)21-12-24-51-48/h4-27H,1-3H3
InChIKeyMQBKBGOIAZADOW-UHFFFAOYSA-N
MW735.86 g/mol
LogP10.63
Rot. Bonds6

About 2-[3,5-bis[3-(2-methylphenyl)pyrido[2,3-b]pyrazin-2-yl]phenyl]-3-(2-methylphenyl)pyrido[2,3-b]pyrazine

2-[3,5-bis[3-(2-methylphenyl)pyrido[2,3-b]pyrazin-2-yl]phenyl]-3-(2-methylphenyl)pyrido[2,3-b]pyrazine (PubChem CID 23391346) has the molecular formula C48H33N9 and a molecular weight of 735.86 g/mol. Its IUPAC name is 2-[3,5-bis[3-(2-methylphenyl)pyrido[2,3-b]pyrazin-2-yl]phenyl]-3-(2-methylphenyl)pyrido[2,3-b]pyrazine.

Molecular Properties

Compound Name2-[3,5-bis[3-(2-methylphenyl)pyrido[2,3-b]pyrazin-2-yl]phenyl]-3-(2-methylphenyl)pyrido[2,3-b]pyrazine
PubChem CID23391346
Molecular FormulaC48H33N9
Molecular Weight735.86 g/mol
Exact Mass735.29
IUPAC Name2-[3,5-bis[3-(2-methylphenyl)pyrido[2,3-b]pyrazin-2-yl]phenyl]-3-(2-methylphenyl)pyrido[2,3-b]pyrazine
SMILESCc1ccccc1-c1nc2ncccc2nc1-c1cc(-c2nc3cccnc3nc2-c2ccccc2C)cc(-c2nc3cccnc3nc2-c2ccccc2C)c1
InChIInChI=1S/C48H33N9/c1-28-13-4-7-16-34(28)43-40(52-37-19-10-22-49-46(37)55-43)31-25-32(41-44(35-17-8-5-14-29(35)2)56-47-38(53-41)20-11-23-50-47)27-33(26-31)42-45(36-18-9-6-15-30(36)3)57-48-39(54-42)21-12-24-51-48/h4-27H,1-3H3
InChIKeyMQBKBGOIAZADOW-UHFFFAOYSA-N
XLogP10.63
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.86
LogP ≤ 510.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[3,5-bis[3-(2-methylphenyl)pyrido[2,3-b]pyrazin-2-yl]phenyl]-3-(2-methylphenyl)pyrido[2,3-b]pyrazine 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-[3,5-bis[3-(2-methylphenyl)pyrido[2,3-b]pyrazin-2-yl]phenyl]-3-(2-methylphenyl)pyrido[2,3-b]pyrazine?
The IUPAC name of 2-[3,5-bis[3-(2-methylphenyl)pyrido[2,3-b]pyrazin-2-yl]phenyl]-3-(2-methylphenyl)pyrido[2,3-b]pyrazine (CID 23391346) is 2-[3,5-bis[3-(2-methylphenyl)pyrido[2,3-b]pyrazin-2-yl]phenyl]-3-(2-methylphenyl)pyrido[2,3-b]pyrazine.
What is the SMILES notation for 2-[3,5-bis[3-(2-methylphenyl)pyrido[2,3-b]pyrazin-2-yl]phenyl]-3-(2-methylphenyl)pyrido[2,3-b]pyrazine?
The canonical SMILES for 2-[3,5-bis[3-(2-methylphenyl)pyrido[2,3-b]pyrazin-2-yl]phenyl]-3-(2-methylphenyl)pyrido[2,3-b]pyrazine is Cc1ccccc1-c1nc2ncccc2nc1-c1cc(-c2nc3cccnc3nc2-c2ccccc2C)cc(-c2nc3cccnc3nc2-c2ccccc2C)c1.
What is the InChIKey of 2-[3,5-bis[3-(2-methylphenyl)pyrido[2,3-b]pyrazin-2-yl]phenyl]-3-(2-methylphenyl)pyrido[2,3-b]pyrazine?
The InChIKey is MQBKBGOIAZADOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N9/c1-28-13-4-7-16-34(28)43-40(52-37-19-10-22-49-46(37)55-43)31-25-32(41-44(35-17-8-5-14-29(35)2)56-47-38(53-41)20-11-23-50-47)27-33(26-31)42-45(36-18-9-6-15-30(36)3)57-48-39(54-42)21-12-24-51-48/h4-27H,1-3H3.
What are the key properties of 2-[3,5-bis[3-(2-methylphenyl)pyrido[2,3-b]pyrazin-2-yl]phenyl]-3-(2-methylphenyl)pyrido[2,3-b]pyrazine?
2-[3,5-bis[3-(2-methylphenyl)pyrido[2,3-b]pyrazin-2-yl]phenyl]-3-(2-methylphenyl)pyrido[2,3-b]pyrazine has a molecular weight of 735.86 g/mol, XLogP of 10.63, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis[3-(2-methylphenyl)pyrido[2,3-b]pyrazin-2-yl]phenyl]-3-(2-methylphenyl)pyrido[2,3-b]pyrazine is sourced from PubChem (CID 23391346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).