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

C45H24F9N9 — CID 20606860

IUPAC2-[3,5-bis[3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1ccccc1-n1c(-c2cc(-c3nc4cccnc4n3-c3ccccc3C(F)(F)F)cc(-c3nc4cccnc4n3-c3ccccc3C(F)(F)F)c2)nc2cccnc21
InChIInChI=1S/C45H24F9N9/c46-43(47,48)28-10-1-4-16-34(28)61-37(58-31-13-7-19-55-40(31)61)25-22-26(38-59-32-14-8-20-56-41(32)62(38)35-17-5-2-11-29(35)44(49,50)51)24-27(23-25)39-60-33-15-9-21-57-42(33)63(39)36-18-6-3-12-30(36)45(52,53)54/h1-24H
InChIKeyRUXZFDOTOKQODF-UHFFFAOYSA-N
MW861.73 g/mol
LogP11.95
Rot. Bonds6

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

2-[3,5-bis[3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine (PubChem CID 20606860) has the molecular formula C45H24F9N9 and a molecular weight of 861.73 g/mol. Its IUPAC name is 2-[3,5-bis[3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[3,5-bis[3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine
PubChem CID20606860
Molecular FormulaC45H24F9N9
Molecular Weight861.73 g/mol
Exact Mass861.20
IUPAC Name2-[3,5-bis[3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1ccccc1-n1c(-c2cc(-c3nc4cccnc4n3-c3ccccc3C(F)(F)F)cc(-c3nc4cccnc4n3-c3ccccc3C(F)(F)F)c2)nc2cccnc21
InChIInChI=1S/C45H24F9N9/c46-43(47,48)28-10-1-4-16-34(28)61-37(58-31-13-7-19-55-40(31)61)25-22-26(38-59-32-14-8-20-56-41(32)62(38)35-17-5-2-11-29(35)44(49,50)51)24-27(23-25)39-60-33-15-9-21-57-42(33)63(39)36-18-6-3-12-30(36)45(52,53)54/h1-24H
InChIKeyRUXZFDOTOKQODF-UHFFFAOYSA-N
XLogP11.95
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500861.73
LogP ≤ 511.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis[3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-[3,5-bis[3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine (CID 20606860) is 2-[3,5-bis[3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[3,5-bis[3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[3,5-bis[3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine is FC(F)(F)c1ccccc1-n1c(-c2cc(-c3nc4cccnc4n3-c3ccccc3C(F)(F)F)cc(-c3nc4cccnc4n3-c3ccccc3C(F)(F)F)c2)nc2cccnc21.
What is the InChIKey of 2-[3,5-bis[3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine?
The InChIKey is RUXZFDOTOKQODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H24F9N9/c46-43(47,48)28-10-1-4-16-34(28)61-37(58-31-13-7-19-55-40(31)61)25-22-26(38-59-32-14-8-20-56-41(32)62(38)35-17-5-2-11-29(35)44(49,50)51)24-27(23-25)39-60-33-15-9-21-57-42(33)63(39)36-18-6-3-12-30(36)45(52,53)54/h1-24H.
What are the key properties of 2-[3,5-bis[3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine?
2-[3,5-bis[3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine has a molecular weight of 861.73 g/mol, XLogP of 11.95, 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-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 20606860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).