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

C45H33N9O3 — CID 23391286

IUPAC2-[3,5-bis(5-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-methoxy-3-phenylimidazo[4,5-b]pyridine
SMILESCOc1ccc2nc(-c3cc(-c4nc5ccc(OC)nc5n4-c4ccccc4)cc(-c4nc5ccc(OC)nc5n4-c4ccccc4)c3)n(-c3ccccc3)c2n1
InChIInChI=1S/C45H33N9O3/c1-55-37-22-19-34-43(49-37)52(31-13-7-4-8-14-31)40(46-34)28-25-29(41-47-35-20-23-38(56-2)50-44(35)53(41)32-15-9-5-10-16-32)27-30(26-28)42-48-36-21-24-39(57-3)51-45(36)54(42)33-17-11-6-12-18-33/h4-27H,1-3H3
InChIKeyJCWYRPZCCJCQQU-UHFFFAOYSA-N
MW747.82 g/mol
LogP8.92
Rot. Bonds9

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

2-[3,5-bis(5-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-methoxy-3-phenylimidazo[4,5-b]pyridine (PubChem CID 23391286) has the molecular formula C45H33N9O3 and a molecular weight of 747.82 g/mol. Its IUPAC name is 2-[3,5-bis(5-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-methoxy-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-methoxy-3-phenylimidazo[4,5-b]pyridine
PubChem CID23391286
Molecular FormulaC45H33N9O3
Molecular Weight747.82 g/mol
Exact Mass747.27
IUPAC Name2-[3,5-bis(5-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-methoxy-3-phenylimidazo[4,5-b]pyridine
SMILESCOc1ccc2nc(-c3cc(-c4nc5ccc(OC)nc5n4-c4ccccc4)cc(-c4nc5ccc(OC)nc5n4-c4ccccc4)c3)n(-c3ccccc3)c2n1
InChIInChI=1S/C45H33N9O3/c1-55-37-22-19-34-43(49-37)52(31-13-7-4-8-14-31)40(46-34)28-25-29(41-47-35-20-23-38(56-2)50-44(35)53(41)32-15-9-5-10-16-32)27-30(26-28)42-48-36-21-24-39(57-3)51-45(36)54(42)33-17-11-6-12-18-33/h4-27H,1-3H3
InChIKeyJCWYRPZCCJCQQU-UHFFFAOYSA-N
XLogP8.92
TPSA119.82 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500747.82
LogP ≤ 58.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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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-methoxy-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-methoxy-3-phenylimidazo[4,5-b]pyridine (CID 23391286) is 2-[3,5-bis(5-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-methoxy-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-methoxy-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-methoxy-3-phenylimidazo[4,5-b]pyridine is COc1ccc2nc(-c3cc(-c4nc5ccc(OC)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-methoxy-3-phenylimidazo[4,5-b]pyridine?
The InChIKey is JCWYRPZCCJCQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H33N9O3/c1-55-37-22-19-34-43(49-37)52(31-13-7-4-8-14-31)40(46-34)28-25-29(41-47-35-20-23-38(56-2)50-44(35)53(41)32-15-9-5-10-16-32)27-30(26-28)42-48-36-21-24-39(57-3)51-45(36)54(42)33-17-11-6-12-18-33/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-methoxy-3-phenylimidazo[4,5-b]pyridine?
2-[3,5-bis(5-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-methoxy-3-phenylimidazo[4,5-b]pyridine has a molecular weight of 747.82 g/mol, XLogP of 8.92, 9 rotatable bonds, 0 hydrogen bond donors, and 12 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-methoxy-3-phenylimidazo[4,5-b]pyridine is sourced from PubChem (CID 23391286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).