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

C26H24N6O3 — CID 118009822

IUPAC3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-pyridin-4-ylimidazo[4,5-b]pyridin-2-amine
SMILESCOc1ccc(COc2ccc(Cn3c(N)nc4cc(-c5ccncc5)cnc43)cc2OC)cn1
InChIInChI=1S/C26H24N6O3/c1-33-23-11-17(3-5-22(23)35-16-18-4-6-24(34-2)29-13-18)15-32-25-21(31-26(32)27)12-20(14-30-25)19-7-9-28-10-8-19/h3-14H,15-16H2,1-2H3,(H2,27,31)
InChIKeyMTCHBJMHQSHCIK-UHFFFAOYSA-N
MW468.52 g/mol
LogP4.11
Rot. Bonds8

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

3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-pyridin-4-ylimidazo[4,5-b]pyridin-2-amine (PubChem CID 118009822) has the molecular formula C26H24N6O3 and a molecular weight of 468.52 g/mol. Its IUPAC name is 3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-pyridin-4-ylimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-pyridin-4-ylimidazo[4,5-b]pyridin-2-amine
PubChem CID118009822
Molecular FormulaC26H24N6O3
Molecular Weight468.52 g/mol
Exact Mass468.19
IUPAC Name3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-pyridin-4-ylimidazo[4,5-b]pyridin-2-amine
SMILESCOc1ccc(COc2ccc(Cn3c(N)nc4cc(-c5ccncc5)cnc43)cc2OC)cn1
InChIInChI=1S/C26H24N6O3/c1-33-23-11-17(3-5-22(23)35-16-18-4-6-24(34-2)29-13-18)15-32-25-21(31-26(32)27)12-20(14-30-25)19-7-9-28-10-8-19/h3-14H,15-16H2,1-2H3,(H2,27,31)
InChIKeyMTCHBJMHQSHCIK-UHFFFAOYSA-N
XLogP4.11
TPSA110.20 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.52
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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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-pyridin-4-ylimidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-pyridin-4-ylimidazo[4,5-b]pyridin-2-amine (CID 118009822) is 3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-pyridin-4-ylimidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-pyridin-4-ylimidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-pyridin-4-ylimidazo[4,5-b]pyridin-2-amine is COc1ccc(COc2ccc(Cn3c(N)nc4cc(-c5ccncc5)cnc43)cc2OC)cn1.
What is the InChIKey of 3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-pyridin-4-ylimidazo[4,5-b]pyridin-2-amine?
The InChIKey is MTCHBJMHQSHCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O3/c1-33-23-11-17(3-5-22(23)35-16-18-4-6-24(34-2)29-13-18)15-32-25-21(31-26(32)27)12-20(14-30-25)19-7-9-28-10-8-19/h3-14H,15-16H2,1-2H3,(H2,27,31).
What are the key properties of 3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-pyridin-4-ylimidazo[4,5-b]pyridin-2-amine?
3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-pyridin-4-ylimidazo[4,5-b]pyridin-2-amine has a molecular weight of 468.52 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-pyridin-4-ylimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 118009822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).