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

C33H28N4O — CID 25212313

IUPAC7-naphthalen-2-yl-2-(3-phenoxyphenyl)-3-piperidin-4-ylimidazo[4,5-b]pyridine
SMILESc1ccc(Oc2cccc(-c3nc4c(-c5ccc6ccccc6c5)ccnc4n3C3CCNCC3)c2)cc1
InChIInChI=1S/C33H28N4O/c1-2-10-28(11-3-1)38-29-12-6-9-26(22-29)32-36-31-30(25-14-13-23-7-4-5-8-24(23)21-25)17-20-35-33(31)37(32)27-15-18-34-19-16-27/h1-14,17,20-22,27,34H,15-16,18-19H2
InChIKeyPLVBOHIGOBUKCA-UHFFFAOYSA-N
MW496.61 g/mol
LogP7.64
Rot. Bonds5

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

7-naphthalen-2-yl-2-(3-phenoxyphenyl)-3-piperidin-4-ylimidazo[4,5-b]pyridine (PubChem CID 25212313) has the molecular formula C33H28N4O and a molecular weight of 496.61 g/mol. Its IUPAC name is 7-naphthalen-2-yl-2-(3-phenoxyphenyl)-3-piperidin-4-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name7-naphthalen-2-yl-2-(3-phenoxyphenyl)-3-piperidin-4-ylimidazo[4,5-b]pyridine
PubChem CID25212313
Molecular FormulaC33H28N4O
Molecular Weight496.61 g/mol
Exact Mass496.23
IUPAC Name7-naphthalen-2-yl-2-(3-phenoxyphenyl)-3-piperidin-4-ylimidazo[4,5-b]pyridine
SMILESc1ccc(Oc2cccc(-c3nc4c(-c5ccc6ccccc6c5)ccnc4n3C3CCNCC3)c2)cc1
InChIInChI=1S/C33H28N4O/c1-2-10-28(11-3-1)38-29-12-6-9-26(22-29)32-36-31-30(25-14-13-23-7-4-5-8-24(23)21-25)17-20-35-33(31)37(32)27-15-18-34-19-16-27/h1-14,17,20-22,27,34H,15-16,18-19H2
InChIKeyPLVBOHIGOBUKCA-UHFFFAOYSA-N
XLogP7.64
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 57.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylphenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine
CID 57425309
7-naphthalen-2-yl-2-(3-nitrophenyl)-3-piperidin-4-ylimidazo[4,5-b]pyridine
CID 25212023
3-(7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)quinoline
CID 25211297
2-(2-bromophenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine
CID 25212217
2-(2-methoxy-3-pyridinyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine
CID 25211717
5-(7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)-1H-pyrimidine-2,4-dione
CID 135949391
2-(1-methylindol-3-yl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine
CID 25211716
4-(2-naphthalen-2-ylimidazol-1-yl)piperidine
CID 68729306
2-(4-methylphenyl)-6-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine
CID 57425345
2-(4-methoxyphenyl)-6-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine
CID 57425370
(3R)-3-(2-methyl-7-naphthalen-2-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxylic acid
CID 68726411
2-(4-fluorophenyl)-6-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine
CID 57425385

Frequently Asked Questions

What is the IUPAC name of 7-naphthalen-2-yl-2-(3-phenoxyphenyl)-3-piperidin-4-ylimidazo[4,5-b]pyridine?
The IUPAC name of 7-naphthalen-2-yl-2-(3-phenoxyphenyl)-3-piperidin-4-ylimidazo[4,5-b]pyridine (CID 25212313) is 7-naphthalen-2-yl-2-(3-phenoxyphenyl)-3-piperidin-4-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 7-naphthalen-2-yl-2-(3-phenoxyphenyl)-3-piperidin-4-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 7-naphthalen-2-yl-2-(3-phenoxyphenyl)-3-piperidin-4-ylimidazo[4,5-b]pyridine is c1ccc(Oc2cccc(-c3nc4c(-c5ccc6ccccc6c5)ccnc4n3C3CCNCC3)c2)cc1.
What is the InChIKey of 7-naphthalen-2-yl-2-(3-phenoxyphenyl)-3-piperidin-4-ylimidazo[4,5-b]pyridine?
The InChIKey is PLVBOHIGOBUKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28N4O/c1-2-10-28(11-3-1)38-29-12-6-9-26(22-29)32-36-31-30(25-14-13-23-7-4-5-8-24(23)21-25)17-20-35-33(31)37(32)27-15-18-34-19-16-27/h1-14,17,20-22,27,34H,15-16,18-19H2.
What are the key properties of 7-naphthalen-2-yl-2-(3-phenoxyphenyl)-3-piperidin-4-ylimidazo[4,5-b]pyridine?
7-naphthalen-2-yl-2-(3-phenoxyphenyl)-3-piperidin-4-ylimidazo[4,5-b]pyridine has a molecular weight of 496.61 g/mol, XLogP of 7.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-naphthalen-2-yl-2-(3-phenoxyphenyl)-3-piperidin-4-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 25212313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).