5-(1-methylpiperidin-4-yl)-2-[4-(phenoxymethyl)phenyl]-1H-imidazo[4,5-b]pyridine

C25H26N4O — CID 90368182

IUPAC5-(1-methylpiperidin-4-yl)-2-[4-(phenoxymethyl)phenyl]-1H-imidazo[4,5-b]pyridine
SMILESCN1CCC(c2ccc3[nH]c(-c4ccc(COc5ccccc5)cc4)nc3n2)CC1
InChIInChI=1S/C25H26N4O/c1-29-15-13-19(14-16-29)22-11-12-23-25(26-22)28-24(27-23)20-9-7-18(8-10-20)17-30-21-5-3-2-4-6-21/h2-12,19H,13-17H2,1H3,(H,26,27,28)
InChIKeyHVZMGWGIHMASPG-UHFFFAOYSA-N
MW398.51 g/mol
LogP5.01
Rot. Bonds5

About 5-(1-methylpiperidin-4-yl)-2-[4-(phenoxymethyl)phenyl]-1H-imidazo[4,5-b]pyridine

5-(1-methylpiperidin-4-yl)-2-[4-(phenoxymethyl)phenyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 90368182) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 5-(1-methylpiperidin-4-yl)-2-[4-(phenoxymethyl)phenyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-(1-methylpiperidin-4-yl)-2-[4-(phenoxymethyl)phenyl]-1H-imidazo[4,5-b]pyridine
PubChem CID90368182
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name5-(1-methylpiperidin-4-yl)-2-[4-(phenoxymethyl)phenyl]-1H-imidazo[4,5-b]pyridine
SMILESCN1CCC(c2ccc3[nH]c(-c4ccc(COc5ccccc5)cc4)nc3n2)CC1
InChIInChI=1S/C25H26N4O/c1-29-15-13-19(14-16-29)22-11-12-23-25(26-22)28-24(27-23)20-9-7-18(8-10-20)17-30-21-5-3-2-4-6-21/h2-12,19H,13-17H2,1H3,(H,26,27,28)
InChIKeyHVZMGWGIHMASPG-UHFFFAOYSA-N
XLogP5.01
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpiperidin-4-yl)-2-[4-(phenoxymethyl)phenyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5-(1-methylpiperidin-4-yl)-2-[4-(phenoxymethyl)phenyl]-1H-imidazo[4,5-b]pyridine (CID 90368182) is 5-(1-methylpiperidin-4-yl)-2-[4-(phenoxymethyl)phenyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-(1-methylpiperidin-4-yl)-2-[4-(phenoxymethyl)phenyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5-(1-methylpiperidin-4-yl)-2-[4-(phenoxymethyl)phenyl]-1H-imidazo[4,5-b]pyridine is CN1CCC(c2ccc3[nH]c(-c4ccc(COc5ccccc5)cc4)nc3n2)CC1.
What is the InChIKey of 5-(1-methylpiperidin-4-yl)-2-[4-(phenoxymethyl)phenyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is HVZMGWGIHMASPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-29-15-13-19(14-16-29)22-11-12-23-25(26-22)28-24(27-23)20-9-7-18(8-10-20)17-30-21-5-3-2-4-6-21/h2-12,19H,13-17H2,1H3,(H,26,27,28).
What are the key properties of 5-(1-methylpiperidin-4-yl)-2-[4-(phenoxymethyl)phenyl]-1H-imidazo[4,5-b]pyridine?
5-(1-methylpiperidin-4-yl)-2-[4-(phenoxymethyl)phenyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 398.51 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpiperidin-4-yl)-2-[4-(phenoxymethyl)phenyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 90368182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).