3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-phenylimidazo[4,5-b]pyridin-2-amine

C27H25N5O3 — CID 118009817

IUPAC3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-phenylimidazo[4,5-b]pyridin-2-amine
SMILESCOc1ccc(COc2ccc(Cn3c(N)nc4cc(-c5ccccc5)cnc43)cc2OC)cn1
InChIInChI=1S/C27H25N5O3/c1-33-24-12-18(8-10-23(24)35-17-19-9-11-25(34-2)29-14-19)16-32-26-22(31-27(32)28)13-21(15-30-26)20-6-4-3-5-7-20/h3-15H,16-17H2,1-2H3,(H2,28,31)
InChIKeyBVOWDAQJDDEQSR-UHFFFAOYSA-N
MW467.53 g/mol
LogP4.72
Rot. Bonds8

About 3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-phenylimidazo[4,5-b]pyridin-2-amine

3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-phenylimidazo[4,5-b]pyridin-2-amine (PubChem CID 118009817) has the molecular formula C27H25N5O3 and a molecular weight of 467.53 g/mol. Its IUPAC name is 3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-phenylimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-phenylimidazo[4,5-b]pyridin-2-amine
PubChem CID118009817
Molecular FormulaC27H25N5O3
Molecular Weight467.53 g/mol
Exact Mass467.20
IUPAC Name3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-phenylimidazo[4,5-b]pyridin-2-amine
SMILESCOc1ccc(COc2ccc(Cn3c(N)nc4cc(-c5ccccc5)cnc43)cc2OC)cn1
InChIInChI=1S/C27H25N5O3/c1-33-24-12-18(8-10-23(24)35-17-19-9-11-25(34-2)29-14-19)16-32-26-22(31-27(32)28)13-21(15-30-26)20-6-4-3-5-7-20/h3-15H,16-17H2,1-2H3,(H2,28,31)
InChIKeyBVOWDAQJDDEQSR-UHFFFAOYSA-N
XLogP4.72
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-phenylimidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-phenylimidazo[4,5-b]pyridin-2-amine (CID 118009817) is 3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-phenylimidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-phenylimidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-phenylimidazo[4,5-b]pyridin-2-amine is COc1ccc(COc2ccc(Cn3c(N)nc4cc(-c5ccccc5)cnc43)cc2OC)cn1.
What is the InChIKey of 3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-phenylimidazo[4,5-b]pyridin-2-amine?
The InChIKey is BVOWDAQJDDEQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O3/c1-33-24-12-18(8-10-23(24)35-17-19-9-11-25(34-2)29-14-19)16-32-26-22(31-27(32)28)13-21(15-30-26)20-6-4-3-5-7-20/h3-15H,16-17H2,1-2H3,(H2,28,31).
What are the key properties of 3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-phenylimidazo[4,5-b]pyridin-2-amine?
3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-phenylimidazo[4,5-b]pyridin-2-amine has a molecular weight of 467.53 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-phenylimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 118009817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).