2-[3,5-bis[3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridine

C42H12F15N9 — CID 23391288

IUPAC2-[3,5-bis[3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridine
SMILESFc1c(F)c(F)c(-n2c(-c3cc(-c4nc5cccnc5n4-c4c(F)c(F)c(F)c(F)c4F)cc(-c4nc5cccnc5n4-c4c(F)c(F)c(F)c(F)c4F)c3)nc3cccnc32)c(F)c1F
InChIInChI=1S/C42H12F15N9/c43-19-22(46)28(52)34(29(53)23(19)47)64-37(61-16-4-1-7-58-40(16)64)13-10-14(38-62-17-5-2-8-59-41(17)65(38)35-30(54)24(48)20(44)25(49)31(35)55)12-15(11-13)39-63-18-6-3-9-60-42(18)66(39)36-32(56)26(50)21(45)27(51)33(36)57/h1-12H
InChIKeyJMOJAAJPICGUEO-UHFFFAOYSA-N
MW927.59 g/mol
LogP10.98
Rot. Bonds6

About 2-[3,5-bis[3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridine

2-[3,5-bis[3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridine (PubChem CID 23391288) has the molecular formula C42H12F15N9 and a molecular weight of 927.59 g/mol. Its IUPAC name is 2-[3,5-bis[3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[3,5-bis[3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridine
PubChem CID23391288
Molecular FormulaC42H12F15N9
Molecular Weight927.59 g/mol
Exact Mass927.10
IUPAC Name2-[3,5-bis[3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridine
SMILESFc1c(F)c(F)c(-n2c(-c3cc(-c4nc5cccnc5n4-c4c(F)c(F)c(F)c(F)c4F)cc(-c4nc5cccnc5n4-c4c(F)c(F)c(F)c(F)c4F)c3)nc3cccnc32)c(F)c1F
InChIInChI=1S/C42H12F15N9/c43-19-22(46)28(52)34(29(53)23(19)47)64-37(61-16-4-1-7-58-40(16)64)13-10-14(38-62-17-5-2-8-59-41(17)65(38)35-30(54)24(48)20(44)25(49)31(35)55)12-15(11-13)39-63-18-6-3-9-60-42(18)66(39)36-32(56)26(50)21(45)27(51)33(36)57/h1-12H
InChIKeyJMOJAAJPICGUEO-UHFFFAOYSA-N
XLogP10.98
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500927.59
LogP ≤ 510.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-[3,5-bis[3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridine with MolForge

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Related Compounds

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US10703755, Example 109
CID 132077032
US11420970, Example 198
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Cyclopentyl-{4-[2-(4-fluoro-phenyl)-5-(4-methyl-piperazin-1-yl)-imidazo[4,5-b]pyridin-1-yl]-pyrimidin-2-yl}-amine
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{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
4-[7-(1-Benzylpiperidin-4-yl)-2-(4-fluorophenyl)-imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine
CID 24884689
4-[2-(4-Fluorophenyl)-7-(1-phenethylpiperidin-4-yl)-imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine
CID 24887646
4-[2-(4-Fluorophenyl)-7-(4-methylpiperazin-1-yl)-imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine
CID 24887878
9-[[4-[4-[4-[(4-Pyrrolidin-1-ylpyridin-1-ium-1-yl)methyl]phenyl]butyl]phenyl]methyl]purin-6-amine bromide
CID 57398746
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
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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis[3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-[3,5-bis[3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridine (CID 23391288) is 2-[3,5-bis[3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[3,5-bis[3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[3,5-bis[3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridine is Fc1c(F)c(F)c(-n2c(-c3cc(-c4nc5cccnc5n4-c4c(F)c(F)c(F)c(F)c4F)cc(-c4nc5cccnc5n4-c4c(F)c(F)c(F)c(F)c4F)c3)nc3cccnc32)c(F)c1F.
What is the InChIKey of 2-[3,5-bis[3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridine?
The InChIKey is JMOJAAJPICGUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H12F15N9/c43-19-22(46)28(52)34(29(53)23(19)47)64-37(61-16-4-1-7-58-40(16)64)13-10-14(38-62-17-5-2-8-59-41(17)65(38)35-30(54)24(48)20(44)25(49)31(35)55)12-15(11-13)39-63-18-6-3-9-60-42(18)66(39)36-32(56)26(50)21(45)27(51)33(36)57/h1-12H.
What are the key properties of 2-[3,5-bis[3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridine?
2-[3,5-bis[3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridine has a molecular weight of 927.59 g/mol, XLogP of 10.98, 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-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 23391288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).