1-[3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]piperidin-4-amine

C26H30N6O3 — CID 118009795

IUPAC1-[3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]piperidin-4-amine
SMILESCOc1ccc(COc2ccc(Cn3cnc4cc(N5CCC(N)CC5)cnc43)cc2OC)cn1
InChIInChI=1S/C26H30N6O3/c1-33-24-11-18(3-5-23(24)35-16-19-4-6-25(34-2)28-13-19)15-32-17-30-22-12-21(14-29-26(22)32)31-9-7-20(27)8-10-31/h3-6,11-14,17,20H,7-10,15-16,27H2,1-2H3
InChIKeyBMBZCEYEGICFNU-UHFFFAOYSA-N
MW474.57 g/mol
LogP3.40
Rot. Bonds8

About 1-[3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]piperidin-4-amine

1-[3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]piperidin-4-amine (PubChem CID 118009795) has the molecular formula C26H30N6O3 and a molecular weight of 474.57 g/mol. Its IUPAC name is 1-[3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]piperidin-4-amine
PubChem CID118009795
Molecular FormulaC26H30N6O3
Molecular Weight474.57 g/mol
Exact Mass474.24
IUPAC Name1-[3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]piperidin-4-amine
SMILESCOc1ccc(COc2ccc(Cn3cnc4cc(N5CCC(N)CC5)cnc43)cc2OC)cn1
InChIInChI=1S/C26H30N6O3/c1-33-24-11-18(3-5-23(24)35-16-19-4-6-25(34-2)28-13-19)15-32-17-30-22-12-21(14-29-26(22)32)31-9-7-20(27)8-10-31/h3-6,11-14,17,20H,7-10,15-16,27H2,1-2H3
InChIKeyBMBZCEYEGICFNU-UHFFFAOYSA-N
XLogP3.40
TPSA100.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]piperidin-4-amine?
The IUPAC name of 1-[3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]piperidin-4-amine (CID 118009795) is 1-[3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]piperidin-4-amine.
What is the SMILES notation for 1-[3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]piperidin-4-amine?
The canonical SMILES for 1-[3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]piperidin-4-amine is COc1ccc(COc2ccc(Cn3cnc4cc(N5CCC(N)CC5)cnc43)cc2OC)cn1.
What is the InChIKey of 1-[3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]piperidin-4-amine?
The InChIKey is BMBZCEYEGICFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O3/c1-33-24-11-18(3-5-23(24)35-16-19-4-6-25(34-2)28-13-19)15-32-17-30-22-12-21(14-29-26(22)32)31-9-7-20(27)8-10-31/h3-6,11-14,17,20H,7-10,15-16,27H2,1-2H3.
What are the key properties of 1-[3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]piperidin-4-amine?
1-[3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]piperidin-4-amine has a molecular weight of 474.57 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]piperidin-4-amine is sourced from PubChem (CID 118009795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).