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

C27H23BrN4 — CID 25212217

IUPAC2-(2-bromophenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine
SMILESBrc1ccccc1-c1nc2c(-c3ccc4ccccc4c3)ccnc2n1C1CCNCC1
InChIInChI=1S/C27H23BrN4/c28-24-8-4-3-7-23(24)26-31-25-22(20-10-9-18-5-1-2-6-19(18)17-20)13-16-30-27(25)32(26)21-11-14-29-15-12-21/h1-10,13,16-17,21,29H,11-12,14-15H2
InChIKeyKVEFUNXPDILZOM-UHFFFAOYSA-N
MW483.41 g/mol
LogP6.61
Rot. Bonds3

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

2-(2-bromophenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine (PubChem CID 25212217) has the molecular formula C27H23BrN4 and a molecular weight of 483.41 g/mol. Its IUPAC name is 2-(2-bromophenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-bromophenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine
PubChem CID25212217
Molecular FormulaC27H23BrN4
Molecular Weight483.41 g/mol
Exact Mass482.11
IUPAC Name2-(2-bromophenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine
SMILESBrc1ccccc1-c1nc2c(-c3ccc4ccccc4c3)ccnc2n1C1CCNCC1
InChIInChI=1S/C27H23BrN4/c28-24-8-4-3-7-23(24)26-31-25-22(20-10-9-18-5-1-2-6-19(18)17-20)13-16-30-27(25)32(26)21-11-14-29-15-12-21/h1-10,13,16-17,21,29H,11-12,14-15H2
InChIKeyKVEFUNXPDILZOM-UHFFFAOYSA-N
XLogP6.61
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.41
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-bromophenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine (CID 25212217) is 2-(2-bromophenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-bromophenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-bromophenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine is Brc1ccccc1-c1nc2c(-c3ccc4ccccc4c3)ccnc2n1C1CCNCC1.
What is the InChIKey of 2-(2-bromophenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine?
The InChIKey is KVEFUNXPDILZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23BrN4/c28-24-8-4-3-7-23(24)26-31-25-22(20-10-9-18-5-1-2-6-19(18)17-20)13-16-30-27(25)32(26)21-11-14-29-15-12-21/h1-10,13,16-17,21,29H,11-12,14-15H2.
What are the key properties of 2-(2-bromophenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine?
2-(2-bromophenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine has a molecular weight of 483.41 g/mol, XLogP of 6.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 25212217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).