2-[2-chloro-3-(trifluoromethyl)phenyl]-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine;2-(3-fluorophenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine

C55H45ClF4N8 — CID 87552033

IUPAC2-[2-chloro-3-(trifluoromethyl)phenyl]-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine;2-(3-fluorophenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine
SMILESFC(F)(F)c1cccc(-c2nc3c(-c4ccc5ccccc5c4)ccnc3n2C2CCNCC2)c1Cl.Fc1cccc(-c2nc3c(-c4ccc5ccccc5c4)ccnc3n2C2CCNCC2)c1
InChIInChI=1S/C28H22ClF3N4.C27H23FN4/c29-24-22(6-3-7-23(24)28(30,31)32)26-35-25-21(19-9-8-17-4-1-2-5-18(17)16-19)12-15-34-27(25)36(26)20-10-13-33-14-11-20;28-22-7-3-6-21(17-22)26-31-25-24(20-9-8-18-4-1-2-5-19(18)16-20)12-15-30-27(25)32(26)23-10-13-29-14-11-23/h1-9,12,15-16,20,33H,10-11,13-14H2;1-9,12,15-17,23,29H,10-11,13-14H2
InChIKeyNCZYQGZZXWBXMI-UHFFFAOYSA-N
MW929.47 g/mol
LogP13.50
Rot. Bonds6

About 2-[2-chloro-3-(trifluoromethyl)phenyl]-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine;2-(3-fluorophenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine

2-[2-chloro-3-(trifluoromethyl)phenyl]-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine;2-(3-fluorophenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine (PubChem CID 87552033) has the molecular formula C55H45ClF4N8 and a molecular weight of 929.47 g/mol. Its IUPAC name is 2-[2-chloro-3-(trifluoromethyl)phenyl]-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine;2-(3-fluorophenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[2-chloro-3-(trifluoromethyl)phenyl]-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine;2-(3-fluorophenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine
PubChem CID87552033
Molecular FormulaC55H45ClF4N8
Molecular Weight929.47 g/mol
Exact Mass928.34
IUPAC Name2-[2-chloro-3-(trifluoromethyl)phenyl]-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine;2-(3-fluorophenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine
SMILESFC(F)(F)c1cccc(-c2nc3c(-c4ccc5ccccc5c4)ccnc3n2C2CCNCC2)c1Cl.Fc1cccc(-c2nc3c(-c4ccc5ccccc5c4)ccnc3n2C2CCNCC2)c1
InChIInChI=1S/C28H22ClF3N4.C27H23FN4/c29-24-22(6-3-7-23(24)28(30,31)32)26-35-25-21(19-9-8-17-4-1-2-5-18(17)16-19)12-15-34-27(25)36(26)20-10-13-33-14-11-20;28-22-7-3-6-21(17-22)26-31-25-24(20-9-8-18-4-1-2-5-19(18)16-20)12-15-30-27(25)32(26)23-10-13-29-14-11-23/h1-9,12,15-16,20,33H,10-11,13-14H2;1-9,12,15-17,23,29H,10-11,13-14H2
InChIKeyNCZYQGZZXWBXMI-UHFFFAOYSA-N
XLogP13.50
TPSA85.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500929.47
LogP ≤ 513.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[2-chloro-3-(trifluoromethyl)phenyl]-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine;2-(3-fluorophenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-3-(trifluoromethyl)phenyl]-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine;2-(3-fluorophenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine?
The IUPAC name of 2-[2-chloro-3-(trifluoromethyl)phenyl]-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine;2-(3-fluorophenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine (CID 87552033) is 2-[2-chloro-3-(trifluoromethyl)phenyl]-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine;2-(3-fluorophenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[2-chloro-3-(trifluoromethyl)phenyl]-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine;2-(3-fluorophenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-[2-chloro-3-(trifluoromethyl)phenyl]-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine;2-(3-fluorophenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine is FC(F)(F)c1cccc(-c2nc3c(-c4ccc5ccccc5c4)ccnc3n2C2CCNCC2)c1Cl.Fc1cccc(-c2nc3c(-c4ccc5ccccc5c4)ccnc3n2C2CCNCC2)c1.
What is the InChIKey of 2-[2-chloro-3-(trifluoromethyl)phenyl]-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine;2-(3-fluorophenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine?
The InChIKey is NCZYQGZZXWBXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22ClF3N4.C27H23FN4/c29-24-22(6-3-7-23(24)28(30,31)32)26-35-25-21(19-9-8-17-4-1-2-5-18(17)16-19)12-15-34-27(25)36(26)20-10-13-33-14-11-20;28-22-7-3-6-21(17-22)26-31-25-24(20-9-8-18-4-1-2-5-19(18)16-20)12-15-30-27(25)32(26)23-10-13-29-14-11-23/h1-9,12,15-16,20,33H,10-11,13-14H2;1-9,12,15-17,23,29H,10-11,13-14H2.
What are the key properties of 2-[2-chloro-3-(trifluoromethyl)phenyl]-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine;2-(3-fluorophenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine?
2-[2-chloro-3-(trifluoromethyl)phenyl]-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine;2-(3-fluorophenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine has a molecular weight of 929.47 g/mol, XLogP of 13.50, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-3-(trifluoromethyl)phenyl]-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine;2-(3-fluorophenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 87552033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).