1-tert-butyl-9-(1-tert-butylpyridin-1-ium-2-yl)carbazole;1-tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;ethane;1-propan-2-yl-8-propan-2-yloxy-1,5-naphthyridin-1-ium;1-propan-2-yl-8-propan-2-yloxyquinolin-1-ium;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole;1-propan-2-yl-2-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)pyridin-1-ium

C143H237F3N15O3+7 — CID 160713707

IUPAC1-tert-butyl-9-(1-tert-butylpyridin-1-ium-2-yl)carbazole;1-tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;ethane;1-propan-2-yl-8-propan-2-yloxy-1,5-naphthyridin-1-ium;1-propan-2-yl-8-propan-2-yloxyquinolin-1-ium;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole;1-propan-2-yl-2-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)pyridin-1-ium
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1cccc2c3ccccc3n(-c3cccc[n+]3C(C)(C)C)c12.CC(C)OC(C)(c1cccc[n+]1C(C)C)C(F)(F)F.CC(C)Oc1cccc2ccc[n+](C(C)C)c12.CC(C)Oc1ccnc2ccc[n+](C(C)C)c12.CC(C)n1c(-c2cccc[n+]2C(C)C)nc2ccccc21.CC(C)n1ccnc1-c1cccc[n+]1C(C)(C)C.CC(C)n1nccc1-c1cccc[n+]1C(C)C
InChIInChI=1S/C25H29N2.C18H22N3.C15H22N3.C15H20NO.C14H21F3NO.C14H20N3.C14H19N2O.14C2H6/c1-24(2,3)20-14-11-13-19-18-12-7-8-15-21(18)27(23(19)20)22-16-9-10-17-26(22)25(4,5)6;1-13(2)20-12-8-7-11-17(20)18-19-15-9-5-6-10-16(15)21(18)14(3)4;1-12(2)17-11-9-16-14(17)13-8-6-7-10-18(13)15(3,4)5;1-11(2)16-10-6-8-13-7-5-9-14(15(13)16)17-12(3)4;1-10(2)18-9-7-6-8-12(18)13(5,14(15,16)17)19-11(3)4;1-11(2)16-10-6-5-7-13(16)14-8-9-15-17(14)12(3)4;1-10(2)16-9-5-6-12-14(16)13(7-8-15-12)17-11(3)4;14*1-2/h7-17H,1-6H3;5-14H,1-4H3;6-12H,1-5H3;5-12H,1-4H3;6-11H,1-5H3;5-12H,1-4H3;5-11H,1-4H3;14*1-2H3/q7*+1;;;;;;;;;;;;;;
InChIKeyMGGWJIQVZXLBND-UHFFFAOYSA-N
MW2271.56 g/mol
LogP40.96
Rot. Bonds19

About 1-tert-butyl-9-(1-tert-butylpyridin-1-ium-2-yl)carbazole;1-tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;ethane;1-propan-2-yl-8-propan-2-yloxy-1,5-naphthyridin-1-ium;1-propan-2-yl-8-propan-2-yloxyquinolin-1-ium;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole;1-propan-2-yl-2-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)pyridin-1-ium

1-tert-butyl-9-(1-tert-butylpyridin-1-ium-2-yl)carbazole;1-tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;ethane;1-propan-2-yl-8-propan-2-yloxy-1,5-naphthyridin-1-ium;1-propan-2-yl-8-propan-2-yloxyquinolin-1-ium;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole;1-propan-2-yl-2-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)pyridin-1-ium (PubChem CID 160713707) has the molecular formula C143H237F3N15O3+7 and a molecular weight of 2271.56 g/mol. Its IUPAC name is 1-tert-butyl-9-(1-tert-butylpyridin-1-ium-2-yl)carbazole;1-tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;ethane;1-propan-2-yl-8-propan-2-yloxy-1,5-naphthyridin-1-ium;1-propan-2-yl-8-propan-2-yloxyquinolin-1-ium;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole;1-propan-2-yl-2-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)pyridin-1-ium.

Molecular Properties

Compound Name1-tert-butyl-9-(1-tert-butylpyridin-1-ium-2-yl)carbazole;1-tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;ethane;1-propan-2-yl-8-propan-2-yloxy-1,5-naphthyridin-1-ium;1-propan-2-yl-8-propan-2-yloxyquinolin-1-ium;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole;1-propan-2-yl-2-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)pyridin-1-ium
PubChem CID160713707
Molecular FormulaC143H237F3N15O3+7
Molecular Weight2271.56 g/mol
Exact Mass2269.88
IUPAC Name1-tert-butyl-9-(1-tert-butylpyridin-1-ium-2-yl)carbazole;1-tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;ethane;1-propan-2-yl-8-propan-2-yloxy-1,5-naphthyridin-1-ium;1-propan-2-yl-8-propan-2-yloxyquinolin-1-ium;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole;1-propan-2-yl-2-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)pyridin-1-ium
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1cccc2c3ccccc3n(-c3cccc[n+]3C(C)(C)C)c12.CC(C)OC(C)(c1cccc[n+]1C(C)C)C(F)(F)F.CC(C)Oc1cccc2ccc[n+](C(C)C)c12.CC(C)Oc1ccnc2ccc[n+](C(C)C)c12.CC(C)n1c(-c2cccc[n+]2C(C)C)nc2ccccc21.CC(C)n1ccnc1-c1cccc[n+]1C(C)(C)C.CC(C)n1nccc1-c1cccc[n+]1C(C)C
InChIInChI=1S/C25H29N2.C18H22N3.C15H22N3.C15H20NO.C14H21F3NO.C14H20N3.C14H19N2O.14C2H6/c1-24(2,3)20-14-11-13-19-18-12-7-8-15-21(18)27(23(19)20)22-16-9-10-17-26(22)25(4,5)6;1-13(2)20-12-8-7-11-17(20)18-19-15-9-5-6-10-16(15)21(18)14(3)4;1-12(2)17-11-9-16-14(17)13-8-6-7-10-18(13)15(3,4)5;1-11(2)16-10-6-8-13-7-5-9-14(15(13)16)17-12(3)4;1-10(2)18-9-7-6-8-12(18)13(5,14(15,16)17)19-11(3)4;1-11(2)16-10-6-5-7-13(16)14-8-9-15-17(14)12(3)4;1-10(2)16-9-5-6-12-14(16)13(7-8-15-12)17-11(3)4;14*1-2/h7-17H,1-6H3;5-14H,1-4H3;6-12H,1-5H3;5-12H,1-4H3;6-11H,1-5H3;5-12H,1-4H3;5-11H,1-4H3;14*1-2H3/q7*+1;;;;;;;;;;;;;;
InChIKeyMGGWJIQVZXLBND-UHFFFAOYSA-N
XLogP40.96
TPSA126.13 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds19
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002271.56
LogP ≤ 540.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-tert-butyl-9-(1-tert-butylpyridin-1-ium-2-yl)carbazole;1-tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;ethane;1-propan-2-yl-8-propan-2-yloxy-1,5-naphthyridin-1-ium;1-propan-2-yl-8-propan-2-yloxyquinolin-1-ium;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole;1-propan-2-yl-2-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)pyridin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

WO2022090481, Example I-173
CID 163273431
WO2022090481, Example I-180
CID 164514238
WO2022090481, Example I-221
CID 164514250
WO2022090481, Example I-183
CID 163273539
WO2022090481, Example I-174
CID 163273702
WO2022090481, Example I-166
CID 164514236
4-[4-[5-(4-Fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-2-[[4-[4-[4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]methyl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine
CID 124012055
2-[[6-[5-[(5-Amino-7-methoxyimidazo[1,2-c]quinazolin-2-yl)methyl]-6-fluoro-3-pyridinyl]-2-morpholin-4-yl-3-pyridinyl]methyl]-7-methoxyimidazo[1,2-c]quinazolin-5-amine
CID 138721007
7-(2,2-difluoroethoxy)-8-[6-(3,5-difluorophenyl)-3-[[[7-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-1,5-naphthyridin-4-yl]amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-N-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine
CID 143835060
N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-8-[6-(1-methylpyrazol-4-yl)-3-[[[7-(2,2,2-trifluoroethoxy)-1,5-naphthyridin-4-yl]amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-7-(2-pyrazol-1-ylethoxy)-1,5-naphthyridin-4-amine
CID 143835140
[4-Chloro-3-[[4-[4-[[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-2-yl]oxymethyl]pyrazol-1-yl]phenyl]methyl]-2-(dimethylamino)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)pyridin-3-yl]methanol
CID 146259770
1-[9-[(E)-4-[6-(1-aminoethenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)-8-[[4-(trifluoromethyl)phenyl]methoxy]pyrimido[4,5-b]indol-9-yl]but-2-enyl]-2-(2-ethyl-5-methylpyrazol-3-yl)-8-methoxypyrimido[4,5-b]indol-6-yl]ethenamine
CID 156332006

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-9-(1-tert-butylpyridin-1-ium-2-yl)carbazole;1-tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;ethane;1-propan-2-yl-8-propan-2-yloxy-1,5-naphthyridin-1-ium;1-propan-2-yl-8-propan-2-yloxyquinolin-1-ium;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole;1-propan-2-yl-2-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)pyridin-1-ium?
The IUPAC name of 1-tert-butyl-9-(1-tert-butylpyridin-1-ium-2-yl)carbazole;1-tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;ethane;1-propan-2-yl-8-propan-2-yloxy-1,5-naphthyridin-1-ium;1-propan-2-yl-8-propan-2-yloxyquinolin-1-ium;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole;1-propan-2-yl-2-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)pyridin-1-ium (CID 160713707) is 1-tert-butyl-9-(1-tert-butylpyridin-1-ium-2-yl)carbazole;1-tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;ethane;1-propan-2-yl-8-propan-2-yloxy-1,5-naphthyridin-1-ium;1-propan-2-yl-8-propan-2-yloxyquinolin-1-ium;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole;1-propan-2-yl-2-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)pyridin-1-ium.
What is the SMILES notation for 1-tert-butyl-9-(1-tert-butylpyridin-1-ium-2-yl)carbazole;1-tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;ethane;1-propan-2-yl-8-propan-2-yloxy-1,5-naphthyridin-1-ium;1-propan-2-yl-8-propan-2-yloxyquinolin-1-ium;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole;1-propan-2-yl-2-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)pyridin-1-ium?
The canonical SMILES for 1-tert-butyl-9-(1-tert-butylpyridin-1-ium-2-yl)carbazole;1-tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;ethane;1-propan-2-yl-8-propan-2-yloxy-1,5-naphthyridin-1-ium;1-propan-2-yl-8-propan-2-yloxyquinolin-1-ium;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole;1-propan-2-yl-2-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)pyridin-1-ium is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1cccc2c3ccccc3n(-c3cccc[n+]3C(C)(C)C)c12.CC(C)OC(C)(c1cccc[n+]1C(C)C)C(F)(F)F.CC(C)Oc1cccc2ccc[n+](C(C)C)c12.CC(C)Oc1ccnc2ccc[n+](C(C)C)c12.CC(C)n1c(-c2cccc[n+]2C(C)C)nc2ccccc21.CC(C)n1ccnc1-c1cccc[n+]1C(C)(C)C.CC(C)n1nccc1-c1cccc[n+]1C(C)C.
What is the InChIKey of 1-tert-butyl-9-(1-tert-butylpyridin-1-ium-2-yl)carbazole;1-tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;ethane;1-propan-2-yl-8-propan-2-yloxy-1,5-naphthyridin-1-ium;1-propan-2-yl-8-propan-2-yloxyquinolin-1-ium;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole;1-propan-2-yl-2-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)pyridin-1-ium?
The InChIKey is MGGWJIQVZXLBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N2.C18H22N3.C15H22N3.C15H20NO.C14H21F3NO.C14H20N3.C14H19N2O.14C2H6/c1-24(2,3)20-14-11-13-19-18-12-7-8-15-21(18)27(23(19)20)22-16-9-10-17-26(22)25(4,5)6;1-13(2)20-12-8-7-11-17(20)18-19-15-9-5-6-10-16(15)21(18)14(3)4;1-12(2)17-11-9-16-14(17)13-8-6-7-10-18(13)15(3,4)5;1-11(2)16-10-6-8-13-7-5-9-14(15(13)16)17-12(3)4;1-10(2)18-9-7-6-8-12(18)13(5,14(15,16)17)19-11(3)4;1-11(2)16-10-6-5-7-13(16)14-8-9-15-17(14)12(3)4;1-10(2)16-9-5-6-12-14(16)13(7-8-15-12)17-11(3)4;14*1-2/h7-17H,1-6H3;5-14H,1-4H3;6-12H,1-5H3;5-12H,1-4H3;6-11H,1-5H3;5-12H,1-4H3;5-11H,1-4H3;14*1-2H3/q7*+1;;;;;;;;;;;;;;.
What are the key properties of 1-tert-butyl-9-(1-tert-butylpyridin-1-ium-2-yl)carbazole;1-tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;ethane;1-propan-2-yl-8-propan-2-yloxy-1,5-naphthyridin-1-ium;1-propan-2-yl-8-propan-2-yloxyquinolin-1-ium;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole;1-propan-2-yl-2-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)pyridin-1-ium?
1-tert-butyl-9-(1-tert-butylpyridin-1-ium-2-yl)carbazole;1-tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;ethane;1-propan-2-yl-8-propan-2-yloxy-1,5-naphthyridin-1-ium;1-propan-2-yl-8-propan-2-yloxyquinolin-1-ium;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole;1-propan-2-yl-2-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)pyridin-1-ium has a molecular weight of 2271.56 g/mol, XLogP of 40.96, 19 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-9-(1-tert-butylpyridin-1-ium-2-yl)carbazole;1-tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;ethane;1-propan-2-yl-8-propan-2-yloxy-1,5-naphthyridin-1-ium;1-propan-2-yl-8-propan-2-yloxyquinolin-1-ium;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole;1-propan-2-yl-2-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)pyridin-1-ium is sourced from PubChem (CID 160713707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).