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

C44H24F7N9 — CID 23391300

IUPAC2-[3,5-bis[3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-fluorophenyl)imidazo[4,5-b]pyridine
SMILESFc1ccccc1-n1c(-c2cc(-c3nc4cccnc4n3-c3ccccc3C(F)(F)F)cc(-c3nc4cccnc4n3-c3ccccc3C(F)(F)F)c2)nc2cccnc21
InChIInChI=1S/C44H24F7N9/c45-30-12-3-6-18-36(30)60-39(57-33-15-9-21-54-42(33)60)27-23-25(37-55-31-13-7-19-52-40(31)58(37)34-16-4-1-10-28(34)43(46,47)48)22-26(24-27)38-56-32-14-8-20-53-41(32)59(38)35-17-5-2-11-29(35)44(49,50)51/h1-24H
InChIKeyUGAOAVGMGRMSMQ-UHFFFAOYSA-N
MW811.73 g/mol
LogP11.07
Rot. Bonds6

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

2-[3,5-bis[3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-fluorophenyl)imidazo[4,5-b]pyridine (PubChem CID 23391300) has the molecular formula C44H24F7N9 and a molecular weight of 811.73 g/mol. Its IUPAC name is 2-[3,5-bis[3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-fluorophenyl)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-fluorophenyl)imidazo[4,5-b]pyridine
PubChem CID23391300
Molecular FormulaC44H24F7N9
Molecular Weight811.73 g/mol
Exact Mass811.20
IUPAC Name2-[3,5-bis[3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-fluorophenyl)imidazo[4,5-b]pyridine
SMILESFc1ccccc1-n1c(-c2cc(-c3nc4cccnc4n3-c3ccccc3C(F)(F)F)cc(-c3nc4cccnc4n3-c3ccccc3C(F)(F)F)c2)nc2cccnc21
InChIInChI=1S/C44H24F7N9/c45-30-12-3-6-18-36(30)60-39(57-33-15-9-21-54-42(33)60)27-23-25(37-55-31-13-7-19-52-40(31)58(37)34-16-4-1-10-28(34)43(46,47)48)22-26(24-27)38-56-32-14-8-20-53-41(32)59(38)35-17-5-2-11-29(35)44(49,50)51/h1-24H
InChIKeyUGAOAVGMGRMSMQ-UHFFFAOYSA-N
XLogP11.07
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.73
LogP ≤ 511.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

6-[3-(2,2-Difluoroethyl)-5-(6-methylpyridin-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine
CID 135233366
US11420970, Example 198
CID 156073186
{4-[(S)-2-(4-Fluoro-phenyl)-5-(4-methyl-piperazin-1-yl)-imidazo[4,5-b]pyridin-1-yl]-pyrimidin-2-yl}-(1-phenyl-ethyl)-amine
CID 9957918
7,12-Bis(4-benzylpiperazin-1-yl)-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 10553922
7-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 10666301
6-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-N,N,8-trimethyl-3,5,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-13-amine
CID 11293909
6-[4-[2-(3,4-Difluorophenyl)ethyl]piperazin-1-yl]-8-methyl-3,5,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 11304370
1-benzyl-6-(trifluoromethyl)-2-(4-(3-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)-1H-benzo[d]imidazole
CID 11620372
1-[(4,4-Difluoropiperidin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-alpha]pyridine
CID 25174143
4-[7-[4-(4-Methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline
CID 54765389
6-[[6-(3,5-Difluorophenyl)-8-fluoroimidazo[1,2-a]pyridin-3-yl]methyl]quinoline
CID 71666520
8-Fluoro-6-[1-(5-pyridin-4-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
CID 86566404

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-fluorophenyl)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-fluorophenyl)imidazo[4,5-b]pyridine (CID 23391300) is 2-[3,5-bis[3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-fluorophenyl)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-fluorophenyl)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-fluorophenyl)imidazo[4,5-b]pyridine is Fc1ccccc1-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-fluorophenyl)imidazo[4,5-b]pyridine?
The InChIKey is UGAOAVGMGRMSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24F7N9/c45-30-12-3-6-18-36(30)60-39(57-33-15-9-21-54-42(33)60)27-23-25(37-55-31-13-7-19-52-40(31)58(37)34-16-4-1-10-28(34)43(46,47)48)22-26(24-27)38-56-32-14-8-20-53-41(32)59(38)35-17-5-2-11-29(35)44(49,50)51/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-fluorophenyl)imidazo[4,5-b]pyridine?
2-[3,5-bis[3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-fluorophenyl)imidazo[4,5-b]pyridine has a molecular weight of 811.73 g/mol, XLogP of 11.07, 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-fluorophenyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 23391300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).