2-[3,5-bis(3-phenylimidazo[4,5-b]pyrazin-2-yl)phenyl]-3-methylimidazo[4,5-b]pyrazine

C34H22N12 — CID 162027532

IUPAC2-[3,5-bis(3-phenylimidazo[4,5-b]pyrazin-2-yl)phenyl]-3-methylimidazo[4,5-b]pyrazine
SMILESCn1c(-c2cc(-c3nc4nccnc4n3-c3ccccc3)cc(-c3nc4nccnc4n3-c3ccccc3)c2)nc2nccnc21
InChIInChI=1S/C34H22N12/c1-44-29(41-26-32(44)38-15-12-35-26)21-18-22(30-42-27-33(39-16-13-36-27)45(30)24-8-4-2-5-9-24)20-23(19-21)31-43-28-34(40-17-14-37-28)46(31)25-10-6-3-7-11-25/h2-20H,1H3
InChIKeyYVOSZEOLVMHNLW-UHFFFAOYSA-N
MW598.63 g/mol
LogP5.62
Rot. Bonds5

About 2-[3,5-bis(3-phenylimidazo[4,5-b]pyrazin-2-yl)phenyl]-3-methylimidazo[4,5-b]pyrazine

2-[3,5-bis(3-phenylimidazo[4,5-b]pyrazin-2-yl)phenyl]-3-methylimidazo[4,5-b]pyrazine (PubChem CID 162027532) has the molecular formula C34H22N12 and a molecular weight of 598.63 g/mol. Its IUPAC name is 2-[3,5-bis(3-phenylimidazo[4,5-b]pyrazin-2-yl)phenyl]-3-methylimidazo[4,5-b]pyrazine.

Molecular Properties

Compound Name2-[3,5-bis(3-phenylimidazo[4,5-b]pyrazin-2-yl)phenyl]-3-methylimidazo[4,5-b]pyrazine
PubChem CID162027532
Molecular FormulaC34H22N12
Molecular Weight598.63 g/mol
Exact Mass598.21
IUPAC Name2-[3,5-bis(3-phenylimidazo[4,5-b]pyrazin-2-yl)phenyl]-3-methylimidazo[4,5-b]pyrazine
SMILESCn1c(-c2cc(-c3nc4nccnc4n3-c3ccccc3)cc(-c3nc4nccnc4n3-c3ccccc3)c2)nc2nccnc21
InChIInChI=1S/C34H22N12/c1-44-29(41-26-32(44)38-15-12-35-26)21-18-22(30-42-27-33(39-16-13-36-27)45(30)24-8-4-2-5-9-24)20-23(19-21)31-43-28-34(40-17-14-37-28)46(31)25-10-6-3-7-11-25/h2-20H,1H3
InChIKeyYVOSZEOLVMHNLW-UHFFFAOYSA-N
XLogP5.62
TPSA130.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500598.63
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Related Compounds

2-[3,5-bis(3-phenylimidazo[4,5-b]pyrazin-2-yl)phenyl]-3-[(2Z,4E)-hepta-2,4-dien-4-yl]imidazo[4,5-b]pyrazine
CID 166686737
2-[3,5-bis[1-(2-methylphenyl)benzimidazol-2-yl]phenyl]-1-(2-methylphenyl)benzimidazole;2-[3,5-bis[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine;2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-[3,5-bis(3-phenylimidazo[4,5-b]pyrazin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyrazine;2-[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;1-phenyl-2-[2,4,6-trimethyl-3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 161035576
2-[3-fluoro-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine
CID 23391315
2-[3-bromo-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine
CID 23391310
2,3-dimethylimidazo[4,5-b]pyrazine
CID 59974515
2-(3,5-dinaphthalen-2-ylphenyl)-3,7-diphenylimidazo[4,5-b]pyridine
CID 131983329
2-naphthalen-2-yl-3-phenylimidazo[4,5-b]pyridine
CID 23527790
10-[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-9H-acridine
CID 134165982
3-phenyl-2-[3-(3-phenylimidazo[4,5-b]pyridin-2-yl)-5-(1-phenylpyrazolo[5,4-b]pyridin-2-ium-2-yl)phenyl]imidazo[4,5-b]pyridine
CID 59016975
3-phenyl-2-[2,4,5-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine
CID 20606867
2-[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-cyclohexa-1,3-dien-1-ylimidazo[4,5-b]pyridine
CID 163874887
3-phenyl-2-[3-(3-phenylimidazo[4,5-b]pyridin-2-yl)-5-pyren-4-ylphenyl]imidazo[4,5-b]pyridine
CID 23391353

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(3-phenylimidazo[4,5-b]pyrazin-2-yl)phenyl]-3-methylimidazo[4,5-b]pyrazine?
The IUPAC name of 2-[3,5-bis(3-phenylimidazo[4,5-b]pyrazin-2-yl)phenyl]-3-methylimidazo[4,5-b]pyrazine (CID 162027532) is 2-[3,5-bis(3-phenylimidazo[4,5-b]pyrazin-2-yl)phenyl]-3-methylimidazo[4,5-b]pyrazine.
What is the SMILES notation for 2-[3,5-bis(3-phenylimidazo[4,5-b]pyrazin-2-yl)phenyl]-3-methylimidazo[4,5-b]pyrazine?
The canonical SMILES for 2-[3,5-bis(3-phenylimidazo[4,5-b]pyrazin-2-yl)phenyl]-3-methylimidazo[4,5-b]pyrazine is Cn1c(-c2cc(-c3nc4nccnc4n3-c3ccccc3)cc(-c3nc4nccnc4n3-c3ccccc3)c2)nc2nccnc21.
What is the InChIKey of 2-[3,5-bis(3-phenylimidazo[4,5-b]pyrazin-2-yl)phenyl]-3-methylimidazo[4,5-b]pyrazine?
The InChIKey is YVOSZEOLVMHNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N12/c1-44-29(41-26-32(44)38-15-12-35-26)21-18-22(30-42-27-33(39-16-13-36-27)45(30)24-8-4-2-5-9-24)20-23(19-21)31-43-28-34(40-17-14-37-28)46(31)25-10-6-3-7-11-25/h2-20H,1H3.
What are the key properties of 2-[3,5-bis(3-phenylimidazo[4,5-b]pyrazin-2-yl)phenyl]-3-methylimidazo[4,5-b]pyrazine?
2-[3,5-bis(3-phenylimidazo[4,5-b]pyrazin-2-yl)phenyl]-3-methylimidazo[4,5-b]pyrazine has a molecular weight of 598.63 g/mol, XLogP of 5.62, 5 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(3-phenylimidazo[4,5-b]pyrazin-2-yl)phenyl]-3-methylimidazo[4,5-b]pyrazine is sourced from PubChem (CID 162027532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).