3-[2-[3-[3-(3-cyanophenyl)imidazo[4,5-b]pyridin-2-yl]-5-[3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]benzonitrile

C45H24F3N11 — CID 134534673

IUPAC3-[2-[3-[3-(3-cyanophenyl)imidazo[4,5-b]pyridin-2-yl]-5-[3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]benzonitrile
SMILESN#Cc1cccc(-n2c(-c3cc(-c4nc5cccnc5n4-c4cccc(C#N)c4)cc(-c4nc5cccnc5n4-c4cccc(C(F)(F)F)c4)c3)nc3cccnc32)c1
InChIInChI=1S/C45H24F3N11/c46-45(47,48)32-9-3-12-35(24-32)59-41(56-38-15-6-18-53-44(38)59)31-22-29(39-54-36-13-4-16-51-42(36)57(39)33-10-1-7-27(19-33)25-49)21-30(23-31)40-55-37-14-5-17-52-43(37)58(40)34-11-2-8-28(20-34)26-50/h1-24H
InChIKeyXESIPWJBUZQWSA-UHFFFAOYSA-N
MW775.76 g/mol
LogP9.65
Rot. Bonds6

About 3-[2-[3-[3-(3-cyanophenyl)imidazo[4,5-b]pyridin-2-yl]-5-[3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]benzonitrile

3-[2-[3-[3-(3-cyanophenyl)imidazo[4,5-b]pyridin-2-yl]-5-[3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]benzonitrile (PubChem CID 134534673) has the molecular formula C45H24F3N11 and a molecular weight of 775.76 g/mol. Its IUPAC name is 3-[2-[3-[3-(3-cyanophenyl)imidazo[4,5-b]pyridin-2-yl]-5-[3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]benzonitrile.

Molecular Properties

Compound Name3-[2-[3-[3-(3-cyanophenyl)imidazo[4,5-b]pyridin-2-yl]-5-[3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]benzonitrile
PubChem CID134534673
Molecular FormulaC45H24F3N11
Molecular Weight775.76 g/mol
Exact Mass775.22
IUPAC Name3-[2-[3-[3-(3-cyanophenyl)imidazo[4,5-b]pyridin-2-yl]-5-[3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]benzonitrile
SMILESN#Cc1cccc(-n2c(-c3cc(-c4nc5cccnc5n4-c4cccc(C#N)c4)cc(-c4nc5cccnc5n4-c4cccc(C(F)(F)F)c4)c3)nc3cccnc32)c1
InChIInChI=1S/C45H24F3N11/c46-45(47,48)32-9-3-12-35(24-32)59-41(56-38-15-6-18-53-44(38)59)31-22-29(39-54-36-13-4-16-51-42(36)57(39)33-10-1-7-27(19-33)25-49)21-30(23-31)40-55-37-14-5-17-52-43(37)58(40)34-11-2-8-28(20-34)26-50/h1-24H
InChIKeyXESIPWJBUZQWSA-UHFFFAOYSA-N
XLogP9.65
TPSA139.71 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500775.76
LogP ≤ 59.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 3-[2-[3-[3-(3-cyanophenyl)imidazo[4,5-b]pyridin-2-yl]-5-[3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-[3-(3-cyanophenyl)imidazo[4,5-b]pyridin-2-yl]-5-[3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]benzonitrile?
The IUPAC name of 3-[2-[3-[3-(3-cyanophenyl)imidazo[4,5-b]pyridin-2-yl]-5-[3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]benzonitrile (CID 134534673) is 3-[2-[3-[3-(3-cyanophenyl)imidazo[4,5-b]pyridin-2-yl]-5-[3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]benzonitrile.
What is the SMILES notation for 3-[2-[3-[3-(3-cyanophenyl)imidazo[4,5-b]pyridin-2-yl]-5-[3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]benzonitrile?
The canonical SMILES for 3-[2-[3-[3-(3-cyanophenyl)imidazo[4,5-b]pyridin-2-yl]-5-[3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]benzonitrile is N#Cc1cccc(-n2c(-c3cc(-c4nc5cccnc5n4-c4cccc(C#N)c4)cc(-c4nc5cccnc5n4-c4cccc(C(F)(F)F)c4)c3)nc3cccnc32)c1.
What is the InChIKey of 3-[2-[3-[3-(3-cyanophenyl)imidazo[4,5-b]pyridin-2-yl]-5-[3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]benzonitrile?
The InChIKey is XESIPWJBUZQWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H24F3N11/c46-45(47,48)32-9-3-12-35(24-32)59-41(56-38-15-6-18-53-44(38)59)31-22-29(39-54-36-13-4-16-51-42(36)57(39)33-10-1-7-27(19-33)25-49)21-30(23-31)40-55-37-14-5-17-52-43(37)58(40)34-11-2-8-28(20-34)26-50/h1-24H.
What are the key properties of 3-[2-[3-[3-(3-cyanophenyl)imidazo[4,5-b]pyridin-2-yl]-5-[3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]benzonitrile?
3-[2-[3-[3-(3-cyanophenyl)imidazo[4,5-b]pyridin-2-yl]-5-[3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]benzonitrile has a molecular weight of 775.76 g/mol, XLogP of 9.65, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-[3-(3-cyanophenyl)imidazo[4,5-b]pyridin-2-yl]-5-[3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]benzonitrile is sourced from PubChem (CID 134534673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).