4-[4-[1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)propyl]cyclohexyl]-6-(trifluoromethyl)quinoline

C25H24ClF3N4 — CID 142752029

IUPAC4-[4-[1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)propyl]cyclohexyl]-6-(trifluoromethyl)quinoline
SMILESCCC(c1nc2ncc(Cl)cc2[nH]1)C1CCC(c2ccnc3ccc(C(F)(F)F)cc23)CC1
InChIInChI=1S/C25H24ClF3N4/c1-2-18(23-32-22-12-17(26)13-31-24(22)33-23)14-3-5-15(6-4-14)19-9-10-30-21-8-7-16(11-20(19)21)25(27,28)29/h7-15,18H,2-6H2,1H3,(H,31,32,33)
InChIKeySJAZDAYYSBXTSI-UHFFFAOYSA-N
MW472.94 g/mol
LogP7.65
Rot. Bonds4

About 4-[4-[1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)propyl]cyclohexyl]-6-(trifluoromethyl)quinoline

4-[4-[1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)propyl]cyclohexyl]-6-(trifluoromethyl)quinoline (PubChem CID 142752029) has the molecular formula C25H24ClF3N4 and a molecular weight of 472.94 g/mol. Its IUPAC name is 4-[4-[1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)propyl]cyclohexyl]-6-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-[4-[1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)propyl]cyclohexyl]-6-(trifluoromethyl)quinoline
PubChem CID142752029
Molecular FormulaC25H24ClF3N4
Molecular Weight472.94 g/mol
Exact Mass472.16
IUPAC Name4-[4-[1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)propyl]cyclohexyl]-6-(trifluoromethyl)quinoline
SMILESCCC(c1nc2ncc(Cl)cc2[nH]1)C1CCC(c2ccnc3ccc(C(F)(F)F)cc23)CC1
InChIInChI=1S/C25H24ClF3N4/c1-2-18(23-32-22-12-17(26)13-31-24(22)33-23)14-3-5-15(6-4-14)19-9-10-30-21-8-7-16(11-20(19)21)25(27,28)29/h7-15,18H,2-6H2,1H3,(H,31,32,33)
InChIKeySJAZDAYYSBXTSI-UHFFFAOYSA-N
XLogP7.65
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.94
LogP ≤ 57.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)propyl]cyclohexyl]-6-(trifluoromethyl)quinoline?
The IUPAC name of 4-[4-[1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)propyl]cyclohexyl]-6-(trifluoromethyl)quinoline (CID 142752029) is 4-[4-[1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)propyl]cyclohexyl]-6-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-[4-[1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)propyl]cyclohexyl]-6-(trifluoromethyl)quinoline?
The canonical SMILES for 4-[4-[1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)propyl]cyclohexyl]-6-(trifluoromethyl)quinoline is CCC(c1nc2ncc(Cl)cc2[nH]1)C1CCC(c2ccnc3ccc(C(F)(F)F)cc23)CC1.
What is the InChIKey of 4-[4-[1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)propyl]cyclohexyl]-6-(trifluoromethyl)quinoline?
The InChIKey is SJAZDAYYSBXTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClF3N4/c1-2-18(23-32-22-12-17(26)13-31-24(22)33-23)14-3-5-15(6-4-14)19-9-10-30-21-8-7-16(11-20(19)21)25(27,28)29/h7-15,18H,2-6H2,1H3,(H,31,32,33).
What are the key properties of 4-[4-[1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)propyl]cyclohexyl]-6-(trifluoromethyl)quinoline?
4-[4-[1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)propyl]cyclohexyl]-6-(trifluoromethyl)quinoline has a molecular weight of 472.94 g/mol, XLogP of 7.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)propyl]cyclohexyl]-6-(trifluoromethyl)quinoline is sourced from PubChem (CID 142752029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).