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

C28H22ClF3N4 — CID 57425315

IUPAC2-[2-chloro-3-(trifluoromethyl)phenyl]-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine
SMILESFC(F)(F)c1cccc(-c2nc3c(-c4ccc5ccccc5c4)ccnc3n2C2CCNCC2)c1Cl
InChIInChI=1S/C28H22ClF3N4/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/h1-9,12,15-16,20,33H,10-11,13-14H2
InChIKeyIYSQLKXRVWQFCV-UHFFFAOYSA-N
MW506.96 g/mol
LogP7.52
Rot. Bonds3

About 2-[2-chloro-3-(trifluoromethyl)phenyl]-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 (PubChem CID 57425315) has the molecular formula C28H22ClF3N4 and a molecular weight of 506.96 g/mol. Its IUPAC name is 2-[2-chloro-3-(trifluoromethyl)phenyl]-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
PubChem CID57425315
Molecular FormulaC28H22ClF3N4
Molecular Weight506.96 g/mol
Exact Mass506.15
IUPAC Name2-[2-chloro-3-(trifluoromethyl)phenyl]-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine
SMILESFC(F)(F)c1cccc(-c2nc3c(-c4ccc5ccccc5c4)ccnc3n2C2CCNCC2)c1Cl
InChIInChI=1S/C28H22ClF3N4/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/h1-9,12,15-16,20,33H,10-11,13-14H2
InChIKeyIYSQLKXRVWQFCV-UHFFFAOYSA-N
XLogP7.52
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.96
LogP ≤ 57.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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?
The IUPAC name of 2-[2-chloro-3-(trifluoromethyl)phenyl]-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine (CID 57425315) is 2-[2-chloro-3-(trifluoromethyl)phenyl]-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?
The canonical SMILES for 2-[2-chloro-3-(trifluoromethyl)phenyl]-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine is FC(F)(F)c1cccc(-c2nc3c(-c4ccc5ccccc5c4)ccnc3n2C2CCNCC2)c1Cl.
What is the InChIKey of 2-[2-chloro-3-(trifluoromethyl)phenyl]-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine?
The InChIKey is IYSQLKXRVWQFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22ClF3N4/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/h1-9,12,15-16,20,33H,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-[2-chloro-3-(trifluoromethyl)phenyl]-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine has a molecular weight of 506.96 g/mol, XLogP of 7.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 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 is sourced from PubChem (CID 57425315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).