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

C25H23N7O3 — CID 118009820

IUPAC3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-pyrimidin-5-ylimidazo[4,5-b]pyridin-2-amine
SMILESCOc1ccc(COc2ccc(Cn3c(N)nc4cc(-c5cncnc5)cnc43)cc2OC)cn1
InChIInChI=1S/C25H23N7O3/c1-33-22-7-16(3-5-21(22)35-14-17-4-6-23(34-2)29-9-17)13-32-24-20(31-25(32)26)8-18(12-30-24)19-10-27-15-28-11-19/h3-12,15H,13-14H2,1-2H3,(H2,26,31)
InChIKeyAUFWLXVVSPEREI-UHFFFAOYSA-N
MW469.51 g/mol
LogP3.51
Rot. Bonds8

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

3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-pyrimidin-5-ylimidazo[4,5-b]pyridin-2-amine (PubChem CID 118009820) has the molecular formula C25H23N7O3 and a molecular weight of 469.51 g/mol. Its IUPAC name is 3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-pyrimidin-5-ylimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-pyrimidin-5-ylimidazo[4,5-b]pyridin-2-amine
PubChem CID118009820
Molecular FormulaC25H23N7O3
Molecular Weight469.51 g/mol
Exact Mass469.19
IUPAC Name3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-pyrimidin-5-ylimidazo[4,5-b]pyridin-2-amine
SMILESCOc1ccc(COc2ccc(Cn3c(N)nc4cc(-c5cncnc5)cnc43)cc2OC)cn1
InChIInChI=1S/C25H23N7O3/c1-33-22-7-16(3-5-21(22)35-14-17-4-6-23(34-2)29-9-17)13-32-24-20(31-25(32)26)8-18(12-30-24)19-10-27-15-28-11-19/h3-12,15H,13-14H2,1-2H3,(H2,26,31)
InChIKeyAUFWLXVVSPEREI-UHFFFAOYSA-N
XLogP3.51
TPSA123.09 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.51
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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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-pyrimidin-5-ylimidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-pyrimidin-5-ylimidazo[4,5-b]pyridin-2-amine (CID 118009820) is 3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-pyrimidin-5-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-pyrimidin-5-ylimidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-pyrimidin-5-ylimidazo[4,5-b]pyridin-2-amine is COc1ccc(COc2ccc(Cn3c(N)nc4cc(-c5cncnc5)cnc43)cc2OC)cn1.
What is the InChIKey of 3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-pyrimidin-5-ylimidazo[4,5-b]pyridin-2-amine?
The InChIKey is AUFWLXVVSPEREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O3/c1-33-22-7-16(3-5-21(22)35-14-17-4-6-23(34-2)29-9-17)13-32-24-20(31-25(32)26)8-18(12-30-24)19-10-27-15-28-11-19/h3-12,15H,13-14H2,1-2H3,(H2,26,31).
What are the key properties of 3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-pyrimidin-5-ylimidazo[4,5-b]pyridin-2-amine?
3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-pyrimidin-5-ylimidazo[4,5-b]pyridin-2-amine has a molecular weight of 469.51 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-pyrimidin-5-ylimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 118009820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).