2-[7-[3-[6-[3-[2-(2-hydroxyphenyl)-3-methylimidazo[4,5-c]pyridin-7-yl]phenyl]pyrimidin-4-yl]phenyl]-3-methylimidazo[4,5-c]pyridin-2-yl]phenol

C42H30N8O2 — CID 176622987

IUPAC2-[7-[3-[6-[3-[2-(2-hydroxyphenyl)-3-methylimidazo[4,5-c]pyridin-7-yl]phenyl]pyrimidin-4-yl]phenyl]-3-methylimidazo[4,5-c]pyridin-2-yl]phenol
SMILESCn1c(-c2ccccc2O)nc2c(-c3cccc(-c4cc(-c5cccc(-c6cncc7c6nc(-c6ccccc6O)n7C)c5)ncn4)c3)cncc21
InChIInChI=1S/C42H30N8O2/c1-49-35-22-43-20-31(39(35)47-41(49)29-13-3-5-15-37(29)51)25-9-7-11-27(17-25)33-19-34(46-24-45-33)28-12-8-10-26(18-28)32-21-44-23-36-40(32)48-42(50(36)2)30-14-4-6-16-38(30)52/h3-24,51-52H,1-2H3
InChIKeyHJZFJHXYBJEGPO-UHFFFAOYSA-N
MW678.76 g/mol
LogP8.45
Rot. Bonds6

About 2-[7-[3-[6-[3-[2-(2-hydroxyphenyl)-3-methylimidazo[4,5-c]pyridin-7-yl]phenyl]pyrimidin-4-yl]phenyl]-3-methylimidazo[4,5-c]pyridin-2-yl]phenol

2-[7-[3-[6-[3-[2-(2-hydroxyphenyl)-3-methylimidazo[4,5-c]pyridin-7-yl]phenyl]pyrimidin-4-yl]phenyl]-3-methylimidazo[4,5-c]pyridin-2-yl]phenol (PubChem CID 176622987) has the molecular formula C42H30N8O2 and a molecular weight of 678.76 g/mol. Its IUPAC name is 2-[7-[3-[6-[3-[2-(2-hydroxyphenyl)-3-methylimidazo[4,5-c]pyridin-7-yl]phenyl]pyrimidin-4-yl]phenyl]-3-methylimidazo[4,5-c]pyridin-2-yl]phenol.

Molecular Properties

Compound Name2-[7-[3-[6-[3-[2-(2-hydroxyphenyl)-3-methylimidazo[4,5-c]pyridin-7-yl]phenyl]pyrimidin-4-yl]phenyl]-3-methylimidazo[4,5-c]pyridin-2-yl]phenol
PubChem CID176622987
Molecular FormulaC42H30N8O2
Molecular Weight678.76 g/mol
Exact Mass678.25
IUPAC Name2-[7-[3-[6-[3-[2-(2-hydroxyphenyl)-3-methylimidazo[4,5-c]pyridin-7-yl]phenyl]pyrimidin-4-yl]phenyl]-3-methylimidazo[4,5-c]pyridin-2-yl]phenol
SMILESCn1c(-c2ccccc2O)nc2c(-c3cccc(-c4cc(-c5cccc(-c6cncc7c6nc(-c6ccccc6O)n7C)c5)ncn4)c3)cncc21
InChIInChI=1S/C42H30N8O2/c1-49-35-22-43-20-31(39(35)47-41(49)29-13-3-5-15-37(29)51)25-9-7-11-27(17-25)33-19-34(46-24-45-33)28-12-8-10-26(18-28)32-21-44-23-36-40(32)48-42(50(36)2)30-14-4-6-16-38(30)52/h3-24,51-52H,1-2H3
InChIKeyHJZFJHXYBJEGPO-UHFFFAOYSA-N
XLogP8.45
TPSA127.66 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.76
LogP ≤ 58.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[7-[3-[6-[3-[2-(2-hydroxyphenyl)-3-methylimidazo[4,5-c]pyridin-7-yl]phenyl]pyrimidin-4-yl]phenyl]-3-methylimidazo[4,5-c]pyridin-2-yl]phenol with MolForge

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Related Compounds

2-[4-[5-[6-[5-[2-(2-hydroxyphenyl)-1-methylbenzimidazol-4-yl]-4H-pyridin-4-id-3-yl]pyrimidin-4-yl]-4H-pyridin-4-id-3-yl]-1-methylbenzimidazol-2-yl]phenol;platinum
CID 176622832
2-[3-phenyl-7-[3-(4-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140864017
3-[1-methyl-4-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]pyridin-4-ol
CID 140864433
4-[1-methyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]pyridin-3-ol
CID 140864357
2-[1-methyl-4-(3-pyridin-2-ylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol
CID 137305162
2,4-ditert-butyl-6-[3-methyl-7-[3-(5-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140865261
2-[1-methyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140864141
2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[6-[3-[1-(4-tert-butyl-2-phenylphenyl)-2-(2-hydroxyphenyl)benzimidazol-4-yl]phenyl]pyrimidin-4-yl]phenyl]benzimidazol-2-yl]phenol
CID 176622942
2-[3-methyl-7-(3-pyridin-2-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol
CID 140865477
2,6-ditert-butyl-4-[4-[3-[6-[3-[2-(2,6-ditert-butyl-3-hydroxy-4-pyridinyl)-1-methylbenzimidazol-4-yl]-5-methylphenyl]pyrimidin-4-yl]-5-methylphenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol
CID 176622985
4-[4-[3-tert-butyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol
CID 140865089
2-[4-(3-isoquinolin-1-ylnaphthalen-1-yl)-1-methylbenzimidazol-2-yl]phenol
CID 166057478

Frequently Asked Questions

What is the IUPAC name of 2-[7-[3-[6-[3-[2-(2-hydroxyphenyl)-3-methylimidazo[4,5-c]pyridin-7-yl]phenyl]pyrimidin-4-yl]phenyl]-3-methylimidazo[4,5-c]pyridin-2-yl]phenol?
The IUPAC name of 2-[7-[3-[6-[3-[2-(2-hydroxyphenyl)-3-methylimidazo[4,5-c]pyridin-7-yl]phenyl]pyrimidin-4-yl]phenyl]-3-methylimidazo[4,5-c]pyridin-2-yl]phenol (CID 176622987) is 2-[7-[3-[6-[3-[2-(2-hydroxyphenyl)-3-methylimidazo[4,5-c]pyridin-7-yl]phenyl]pyrimidin-4-yl]phenyl]-3-methylimidazo[4,5-c]pyridin-2-yl]phenol.
What is the SMILES notation for 2-[7-[3-[6-[3-[2-(2-hydroxyphenyl)-3-methylimidazo[4,5-c]pyridin-7-yl]phenyl]pyrimidin-4-yl]phenyl]-3-methylimidazo[4,5-c]pyridin-2-yl]phenol?
The canonical SMILES for 2-[7-[3-[6-[3-[2-(2-hydroxyphenyl)-3-methylimidazo[4,5-c]pyridin-7-yl]phenyl]pyrimidin-4-yl]phenyl]-3-methylimidazo[4,5-c]pyridin-2-yl]phenol is Cn1c(-c2ccccc2O)nc2c(-c3cccc(-c4cc(-c5cccc(-c6cncc7c6nc(-c6ccccc6O)n7C)c5)ncn4)c3)cncc21.
What is the InChIKey of 2-[7-[3-[6-[3-[2-(2-hydroxyphenyl)-3-methylimidazo[4,5-c]pyridin-7-yl]phenyl]pyrimidin-4-yl]phenyl]-3-methylimidazo[4,5-c]pyridin-2-yl]phenol?
The InChIKey is HJZFJHXYBJEGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N8O2/c1-49-35-22-43-20-31(39(35)47-41(49)29-13-3-5-15-37(29)51)25-9-7-11-27(17-25)33-19-34(46-24-45-33)28-12-8-10-26(18-28)32-21-44-23-36-40(32)48-42(50(36)2)30-14-4-6-16-38(30)52/h3-24,51-52H,1-2H3.
What are the key properties of 2-[7-[3-[6-[3-[2-(2-hydroxyphenyl)-3-methylimidazo[4,5-c]pyridin-7-yl]phenyl]pyrimidin-4-yl]phenyl]-3-methylimidazo[4,5-c]pyridin-2-yl]phenol?
2-[7-[3-[6-[3-[2-(2-hydroxyphenyl)-3-methylimidazo[4,5-c]pyridin-7-yl]phenyl]pyrimidin-4-yl]phenyl]-3-methylimidazo[4,5-c]pyridin-2-yl]phenol has a molecular weight of 678.76 g/mol, XLogP of 8.45, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[3-[6-[3-[2-(2-hydroxyphenyl)-3-methylimidazo[4,5-c]pyridin-7-yl]phenyl]pyrimidin-4-yl]phenyl]-3-methylimidazo[4,5-c]pyridin-2-yl]phenol is sourced from PubChem (CID 176622987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).