1-phenyl-6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]-3,4-dihydro-2H-quinoline

C26H23F3N4 — CID 167562902

IUPAC1-phenyl-6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]-3,4-dihydro-2H-quinoline
SMILESFC(F)(F)c1cnc2nc(C3(c4ccc5c(c4)CCCN5c4ccccc4)CCC3)[nH]c2c1
InChIInChI=1S/C26H23F3N4/c27-26(28,29)19-15-21-23(30-16-19)32-24(31-21)25(11-5-12-25)18-9-10-22-17(14-18)6-4-13-33(22)20-7-2-1-3-8-20/h1-3,7-10,14-16H,4-6,11-13H2,(H,30,31,32)
InChIKeyNDTWPXIGMVUTCM-UHFFFAOYSA-N
MW448.49 g/mol
LogP6.53
Rot. Bonds3

About 1-phenyl-6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]-3,4-dihydro-2H-quinoline

1-phenyl-6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]-3,4-dihydro-2H-quinoline (PubChem CID 167562902) has the molecular formula C26H23F3N4 and a molecular weight of 448.49 g/mol. Its IUPAC name is 1-phenyl-6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-phenyl-6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]-3,4-dihydro-2H-quinoline
PubChem CID167562902
Molecular FormulaC26H23F3N4
Molecular Weight448.49 g/mol
Exact Mass448.19
IUPAC Name1-phenyl-6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]-3,4-dihydro-2H-quinoline
SMILESFC(F)(F)c1cnc2nc(C3(c4ccc5c(c4)CCCN5c4ccccc4)CCC3)[nH]c2c1
InChIInChI=1S/C26H23F3N4/c27-26(28,29)19-15-21-23(30-16-19)32-24(31-21)25(11-5-12-25)18-9-10-22-17(14-18)6-4-13-33(22)20-7-2-1-3-8-20/h1-3,7-10,14-16H,4-6,11-13H2,(H,30,31,32)
InChIKeyNDTWPXIGMVUTCM-UHFFFAOYSA-N
XLogP6.53
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.49
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-phenyl-6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]-3,4-dihydro-2H-quinoline (CID 167562902) is 1-phenyl-6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-phenyl-6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-phenyl-6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]-3,4-dihydro-2H-quinoline is FC(F)(F)c1cnc2nc(C3(c4ccc5c(c4)CCCN5c4ccccc4)CCC3)[nH]c2c1.
What is the InChIKey of 1-phenyl-6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]-3,4-dihydro-2H-quinoline?
The InChIKey is NDTWPXIGMVUTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4/c27-26(28,29)19-15-21-23(30-16-19)32-24(31-21)25(11-5-12-25)18-9-10-22-17(14-18)6-4-13-33(22)20-7-2-1-3-8-20/h1-3,7-10,14-16H,4-6,11-13H2,(H,30,31,32).
What are the key properties of 1-phenyl-6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]-3,4-dihydro-2H-quinoline?
1-phenyl-6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]-3,4-dihydro-2H-quinoline has a molecular weight of 448.49 g/mol, XLogP of 6.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 167562902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).