3-(2,3,4,5,6-pentafluorophenyl)-2-[3-[3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridin-2-yl]-5-[3-(2,3,4,5,6-pentafluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridine

C43H13F15N8 — CID 58803469

IUPAC3-(2,3,4,5,6-pentafluorophenyl)-2-[3-[3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridin-2-yl]-5-[3-(2,3,4,5,6-pentafluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridine
SMILESFc1c(F)c(F)c(-c2c(-c3cc(-c4nc5cccnc5n4-c4c(F)c(F)c(F)c(F)c4F)cc(-c4nc5cccnc5n4-c4c(F)c(F)c(F)c(F)c4F)c3)[nH]c3cccnc23)c(F)c1F
InChIInChI=1S/C43H13F15N8/c44-21-19(22(45)24(47)25(48)23(21)46)20-36(62-16-4-1-7-59-37(16)20)13-10-14(40-63-17-5-2-8-60-42(17)65(40)38-32(55)28(51)26(49)29(52)33(38)56)12-15(11-13)41-64-18-6-3-9-61-43(18)66(41)39-34(57)30(53)27(50)31(54)35(39)58/h1-12,62H
InChIKeyDYPQABCFGVQLAB-UHFFFAOYSA-N
MW926.60 g/mol
LogP11.79
Rot. Bonds6

About 3-(2,3,4,5,6-pentafluorophenyl)-2-[3-[3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridin-2-yl]-5-[3-(2,3,4,5,6-pentafluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridine

3-(2,3,4,5,6-pentafluorophenyl)-2-[3-[3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridin-2-yl]-5-[3-(2,3,4,5,6-pentafluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridine (PubChem CID 58803469) has the molecular formula C43H13F15N8 and a molecular weight of 926.60 g/mol. Its IUPAC name is 3-(2,3,4,5,6-pentafluorophenyl)-2-[3-[3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridin-2-yl]-5-[3-(2,3,4,5,6-pentafluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(2,3,4,5,6-pentafluorophenyl)-2-[3-[3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridin-2-yl]-5-[3-(2,3,4,5,6-pentafluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridine
PubChem CID58803469
Molecular FormulaC43H13F15N8
Molecular Weight926.60 g/mol
Exact Mass926.10
IUPAC Name3-(2,3,4,5,6-pentafluorophenyl)-2-[3-[3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridin-2-yl]-5-[3-(2,3,4,5,6-pentafluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridine
SMILESFc1c(F)c(F)c(-c2c(-c3cc(-c4nc5cccnc5n4-c4c(F)c(F)c(F)c(F)c4F)cc(-c4nc5cccnc5n4-c4c(F)c(F)c(F)c(F)c4F)c3)[nH]c3cccnc23)c(F)c1F
InChIInChI=1S/C43H13F15N8/c44-21-19(22(45)24(47)25(48)23(21)46)20-36(62-16-4-1-7-59-37(16)20)13-10-14(40-63-17-5-2-8-60-42(17)65(40)38-32(55)28(51)26(49)29(52)33(38)56)12-15(11-13)41-64-18-6-3-9-61-43(18)66(41)39-34(57)30(53)27(50)31(54)35(39)58/h1-12,62H
InChIKeyDYPQABCFGVQLAB-UHFFFAOYSA-N
XLogP11.79
TPSA90.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500926.60
LogP ≤ 511.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-(2,3,4,5,6-pentafluorophenyl)-2-[3-[3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridin-2-yl]-5-[3-(2,3,4,5,6-pentafluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4,5,6-pentafluorophenyl)-2-[3-[3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridin-2-yl]-5-[3-(2,3,4,5,6-pentafluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridine?
The IUPAC name of 3-(2,3,4,5,6-pentafluorophenyl)-2-[3-[3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridin-2-yl]-5-[3-(2,3,4,5,6-pentafluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridine (CID 58803469) is 3-(2,3,4,5,6-pentafluorophenyl)-2-[3-[3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridin-2-yl]-5-[3-(2,3,4,5,6-pentafluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(2,3,4,5,6-pentafluorophenyl)-2-[3-[3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridin-2-yl]-5-[3-(2,3,4,5,6-pentafluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(2,3,4,5,6-pentafluorophenyl)-2-[3-[3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridin-2-yl]-5-[3-(2,3,4,5,6-pentafluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridine is Fc1c(F)c(F)c(-c2c(-c3cc(-c4nc5cccnc5n4-c4c(F)c(F)c(F)c(F)c4F)cc(-c4nc5cccnc5n4-c4c(F)c(F)c(F)c(F)c4F)c3)[nH]c3cccnc23)c(F)c1F.
What is the InChIKey of 3-(2,3,4,5,6-pentafluorophenyl)-2-[3-[3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridin-2-yl]-5-[3-(2,3,4,5,6-pentafluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridine?
The InChIKey is DYPQABCFGVQLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H13F15N8/c44-21-19(22(45)24(47)25(48)23(21)46)20-36(62-16-4-1-7-59-37(16)20)13-10-14(40-63-17-5-2-8-60-42(17)65(40)38-32(55)28(51)26(49)29(52)33(38)56)12-15(11-13)41-64-18-6-3-9-61-43(18)66(41)39-34(57)30(53)27(50)31(54)35(39)58/h1-12,62H.
What are the key properties of 3-(2,3,4,5,6-pentafluorophenyl)-2-[3-[3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridin-2-yl]-5-[3-(2,3,4,5,6-pentafluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridine?
3-(2,3,4,5,6-pentafluorophenyl)-2-[3-[3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridin-2-yl]-5-[3-(2,3,4,5,6-pentafluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridine has a molecular weight of 926.60 g/mol, XLogP of 11.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4,5,6-pentafluorophenyl)-2-[3-[3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridin-2-yl]-5-[3-(2,3,4,5,6-pentafluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 58803469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).