2-[3,5-bis(5-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-methyl-3-phenylimidazo[4,5-b]pyridine

C45H33N9O2 — CID 59866407

IUPAC2-[3,5-bis(5-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-methyl-3-phenylimidazo[4,5-b]pyridine
SMILESCOc1ccc2nc(-c3cc(-c4nc5ccc(C)nc5n4-c4ccccc4)cc(-c4nc5ccc(OC)nc5n4-c4ccccc4)c3)n(-c3ccccc3)c2n1
InChIInChI=1S/C45H33N9O2/c1-28-19-20-35-43(46-28)52(32-13-7-4-8-14-32)40(47-35)29-25-30(41-48-36-21-23-38(55-2)50-44(36)53(41)33-15-9-5-10-16-33)27-31(26-29)42-49-37-22-24-39(56-3)51-45(37)54(42)34-17-11-6-12-18-34/h4-27H,1-3H3
InChIKeyQHNWUBPAPVMXQY-UHFFFAOYSA-N
MW731.82 g/mol
LogP9.21
Rot. Bonds8

About 2-[3,5-bis(5-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-methyl-3-phenylimidazo[4,5-b]pyridine

2-[3,5-bis(5-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-methyl-3-phenylimidazo[4,5-b]pyridine (PubChem CID 59866407) has the molecular formula C45H33N9O2 and a molecular weight of 731.82 g/mol. Its IUPAC name is 2-[3,5-bis(5-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-methyl-3-phenylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[3,5-bis(5-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-methyl-3-phenylimidazo[4,5-b]pyridine
PubChem CID59866407
Molecular FormulaC45H33N9O2
Molecular Weight731.82 g/mol
Exact Mass731.28
IUPAC Name2-[3,5-bis(5-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-methyl-3-phenylimidazo[4,5-b]pyridine
SMILESCOc1ccc2nc(-c3cc(-c4nc5ccc(C)nc5n4-c4ccccc4)cc(-c4nc5ccc(OC)nc5n4-c4ccccc4)c3)n(-c3ccccc3)c2n1
InChIInChI=1S/C45H33N9O2/c1-28-19-20-35-43(46-28)52(32-13-7-4-8-14-32)40(47-35)29-25-30(41-48-36-21-23-38(55-2)50-44(36)53(41)33-15-9-5-10-16-33)27-31(26-29)42-49-37-22-24-39(56-3)51-45(37)54(42)34-17-11-6-12-18-34/h4-27H,1-3H3
InChIKeyQHNWUBPAPVMXQY-UHFFFAOYSA-N
XLogP9.21
TPSA110.59 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500731.82
LogP ≤ 59.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(5-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-methyl-3-phenylimidazo[4,5-b]pyridine?
The IUPAC name of 2-[3,5-bis(5-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-methyl-3-phenylimidazo[4,5-b]pyridine (CID 59866407) is 2-[3,5-bis(5-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-methyl-3-phenylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[3,5-bis(5-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-methyl-3-phenylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-[3,5-bis(5-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-methyl-3-phenylimidazo[4,5-b]pyridine is COc1ccc2nc(-c3cc(-c4nc5ccc(C)nc5n4-c4ccccc4)cc(-c4nc5ccc(OC)nc5n4-c4ccccc4)c3)n(-c3ccccc3)c2n1.
What is the InChIKey of 2-[3,5-bis(5-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-methyl-3-phenylimidazo[4,5-b]pyridine?
The InChIKey is QHNWUBPAPVMXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H33N9O2/c1-28-19-20-35-43(46-28)52(32-13-7-4-8-14-32)40(47-35)29-25-30(41-48-36-21-23-38(55-2)50-44(36)53(41)33-15-9-5-10-16-33)27-31(26-29)42-49-37-22-24-39(56-3)51-45(37)54(42)34-17-11-6-12-18-34/h4-27H,1-3H3.
What are the key properties of 2-[3,5-bis(5-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-methyl-3-phenylimidazo[4,5-b]pyridine?
2-[3,5-bis(5-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-methyl-3-phenylimidazo[4,5-b]pyridine has a molecular weight of 731.82 g/mol, XLogP of 9.21, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(5-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-methyl-3-phenylimidazo[4,5-b]pyridine is sourced from PubChem (CID 59866407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).