7-naphthalen-2-yl-2-(3-nitrophenyl)-3-piperidin-4-ylimidazo[4,5-b]pyridine

C27H23N5O2 — CID 25212023

IUPAC7-naphthalen-2-yl-2-(3-nitrophenyl)-3-piperidin-4-ylimidazo[4,5-b]pyridine
SMILESO=[N+]([O-])c1cccc(-c2nc3c(-c4ccc5ccccc5c4)ccnc3n2C2CCNCC2)c1
InChIInChI=1S/C27H23N5O2/c33-32(34)23-7-3-6-21(17-23)26-30-25-24(20-9-8-18-4-1-2-5-19(18)16-20)12-15-29-27(25)31(26)22-10-13-28-14-11-22/h1-9,12,15-17,22,28H,10-11,13-14H2
InChIKeyXEXGYBZJGZKJFZ-UHFFFAOYSA-N
MW449.51 g/mol
LogP5.75
Rot. Bonds4

About 7-naphthalen-2-yl-2-(3-nitrophenyl)-3-piperidin-4-ylimidazo[4,5-b]pyridine

7-naphthalen-2-yl-2-(3-nitrophenyl)-3-piperidin-4-ylimidazo[4,5-b]pyridine (PubChem CID 25212023) has the molecular formula C27H23N5O2 and a molecular weight of 449.51 g/mol. Its IUPAC name is 7-naphthalen-2-yl-2-(3-nitrophenyl)-3-piperidin-4-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name7-naphthalen-2-yl-2-(3-nitrophenyl)-3-piperidin-4-ylimidazo[4,5-b]pyridine
PubChem CID25212023
Molecular FormulaC27H23N5O2
Molecular Weight449.51 g/mol
Exact Mass449.19
IUPAC Name7-naphthalen-2-yl-2-(3-nitrophenyl)-3-piperidin-4-ylimidazo[4,5-b]pyridine
SMILESO=[N+]([O-])c1cccc(-c2nc3c(-c4ccc5ccccc5c4)ccnc3n2C2CCNCC2)c1
InChIInChI=1S/C27H23N5O2/c33-32(34)23-7-3-6-21(17-23)26-30-25-24(20-9-8-18-4-1-2-5-19(18)16-20)12-15-29-27(25)31(26)22-10-13-28-14-11-22/h1-9,12,15-17,22,28H,10-11,13-14H2
InChIKeyXEXGYBZJGZKJFZ-UHFFFAOYSA-N
XLogP5.75
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.51
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-naphthalen-2-yl-2-(3-nitrophenyl)-3-piperidin-4-ylimidazo[4,5-b]pyridine?
The IUPAC name of 7-naphthalen-2-yl-2-(3-nitrophenyl)-3-piperidin-4-ylimidazo[4,5-b]pyridine (CID 25212023) is 7-naphthalen-2-yl-2-(3-nitrophenyl)-3-piperidin-4-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 7-naphthalen-2-yl-2-(3-nitrophenyl)-3-piperidin-4-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 7-naphthalen-2-yl-2-(3-nitrophenyl)-3-piperidin-4-ylimidazo[4,5-b]pyridine is O=[N+]([O-])c1cccc(-c2nc3c(-c4ccc5ccccc5c4)ccnc3n2C2CCNCC2)c1.
What is the InChIKey of 7-naphthalen-2-yl-2-(3-nitrophenyl)-3-piperidin-4-ylimidazo[4,5-b]pyridine?
The InChIKey is XEXGYBZJGZKJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O2/c33-32(34)23-7-3-6-21(17-23)26-30-25-24(20-9-8-18-4-1-2-5-19(18)16-20)12-15-29-27(25)31(26)22-10-13-28-14-11-22/h1-9,12,15-17,22,28H,10-11,13-14H2.
What are the key properties of 7-naphthalen-2-yl-2-(3-nitrophenyl)-3-piperidin-4-ylimidazo[4,5-b]pyridine?
7-naphthalen-2-yl-2-(3-nitrophenyl)-3-piperidin-4-ylimidazo[4,5-b]pyridine has a molecular weight of 449.51 g/mol, XLogP of 5.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-naphthalen-2-yl-2-(3-nitrophenyl)-3-piperidin-4-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 25212023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).