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

C27H24FN5O3 — CID 118009818

IUPAC6-(4-fluorophenyl)-3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-2-amine
SMILESCOc1ccc(COc2ccc(Cn3c(N)nc4cc(-c5ccc(F)cc5)cnc43)cc2OC)cn1
InChIInChI=1S/C27H24FN5O3/c1-34-24-11-17(3-9-23(24)36-16-18-4-10-25(35-2)30-13-18)15-33-26-22(32-27(33)29)12-20(14-31-26)19-5-7-21(28)8-6-19/h3-14H,15-16H2,1-2H3,(H2,29,32)
InChIKeyUGNXBDMIUNXKPM-UHFFFAOYSA-N
MW485.52 g/mol
LogP4.86
Rot. Bonds8

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

6-(4-fluorophenyl)-3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-2-amine (PubChem CID 118009818) has the molecular formula C27H24FN5O3 and a molecular weight of 485.52 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-2-amine
PubChem CID118009818
Molecular FormulaC27H24FN5O3
Molecular Weight485.52 g/mol
Exact Mass485.19
IUPAC Name6-(4-fluorophenyl)-3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-2-amine
SMILESCOc1ccc(COc2ccc(Cn3c(N)nc4cc(-c5ccc(F)cc5)cnc43)cc2OC)cn1
InChIInChI=1S/C27H24FN5O3/c1-34-24-11-17(3-9-23(24)36-16-18-4-10-25(35-2)30-13-18)15-33-26-22(32-27(33)29)12-20(14-31-26)19-5-7-21(28)8-6-19/h3-14H,15-16H2,1-2H3,(H2,29,32)
InChIKeyUGNXBDMIUNXKPM-UHFFFAOYSA-N
XLogP4.86
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.52
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 6-(4-fluorophenyl)-3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-2-amine (CID 118009818) is 6-(4-fluorophenyl)-3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 6-(4-fluorophenyl)-3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 6-(4-fluorophenyl)-3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-2-amine is COc1ccc(COc2ccc(Cn3c(N)nc4cc(-c5ccc(F)cc5)cnc43)cc2OC)cn1.
What is the InChIKey of 6-(4-fluorophenyl)-3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-2-amine?
The InChIKey is UGNXBDMIUNXKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN5O3/c1-34-24-11-17(3-9-23(24)36-16-18-4-10-25(35-2)30-13-18)15-33-26-22(32-27(33)29)12-20(14-31-26)19-5-7-21(28)8-6-19/h3-14H,15-16H2,1-2H3,(H2,29,32).
What are the key properties of 6-(4-fluorophenyl)-3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-2-amine?
6-(4-fluorophenyl)-3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-2-amine has a molecular weight of 485.52 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 118009818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).