3-(5-butan-2-yl-4-fluoro-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide;4-butan-2-yl-2-(2-phenylpropan-2-yl)pyridine;7-(3,3-dimethylbutyl)-3-(3H-naphthalen-3-id-2-yl)isoquinoline;tris(iridium);2-[3-(3-methylbutyl)-5H-pyrazol-5-id-1-yl]pyridine;platinum;1,1,1-trifluoro-4-hydroxypent-3-en-2-one

C75H79F6Ir3N7O2Pt-4 — CID 158211251

IUPAC3-(5-butan-2-yl-4-fluoro-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide;4-butan-2-yl-2-(2-phenylpropan-2-yl)pyridine;7-(3,3-dimethylbutyl)-3-(3H-naphthalen-3-id-2-yl)isoquinoline;tris(iridium);2-[3-(3-methylbutyl)-5H-pyrazol-5-id-1-yl]pyridine;platinum;1,1,1-trifluoro-4-hydroxypent-3-en-2-one
SMILESCC(C)(C)CCc1ccc2cc(-c3[c-]cc4ccccc4c3)ncc2c1.CC(C)CCc1c[c-]n(-c2ccccn2)n1.CC(O)=CC(=O)C(F)(F)F.CCC(C)c1ccnc(C(C)(C)c2[c-]cccc2)c1.CCC(C)c1cnc(-c2[c-]cc(F)nc2F)cc1F.[Ir].[Ir].[Ir].[Pt]
InChIInChI=1S/C25H24N.C18H22N.C14H12F3N2.C13H16N3.C5H5F3O2.3Ir.Pt/c1-25(2,3)13-12-18-8-9-21-16-24(26-17-23(21)14-18)22-11-10-19-6-4-5-7-20(19)15-22;1-5-14(2)15-11-12-19-17(13-15)18(3,4)16-9-7-6-8-10-16;1-3-8(2)10-7-18-12(6-11(10)15)9-4-5-13(16)19-14(9)17;1-11(2)6-7-12-8-10-16(15-12)13-5-3-4-9-14-13;1-3(9)2-4(10)5(6,7)8;;;;/h4-10,14-17H,12-13H2,1-3H3;6-9,11-14H,5H2,1-4H3;5-8H,3H2,1-2H3;3-5,8-9,11H,6-7H2,1-2H3;2,9H,1H3;;;;/q4*-1;;;;;
InChIKeyLIFYGBPCTRRWIM-UHFFFAOYSA-N
MW1996.22 g/mol
LogP19.66
Rot. Bonds15

About 3-(5-butan-2-yl-4-fluoro-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide;4-butan-2-yl-2-(2-phenylpropan-2-yl)pyridine;7-(3,3-dimethylbutyl)-3-(3H-naphthalen-3-id-2-yl)isoquinoline;tris(iridium);2-[3-(3-methylbutyl)-5H-pyrazol-5-id-1-yl]pyridine;platinum;1,1,1-trifluoro-4-hydroxypent-3-en-2-one

3-(5-butan-2-yl-4-fluoro-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide;4-butan-2-yl-2-(2-phenylpropan-2-yl)pyridine;7-(3,3-dimethylbutyl)-3-(3H-naphthalen-3-id-2-yl)isoquinoline;tris(iridium);2-[3-(3-methylbutyl)-5H-pyrazol-5-id-1-yl]pyridine;platinum;1,1,1-trifluoro-4-hydroxypent-3-en-2-one (PubChem CID 158211251) has the molecular formula C75H79F6Ir3N7O2Pt-4 and a molecular weight of 1996.22 g/mol. Its IUPAC name is 3-(5-butan-2-yl-4-fluoro-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide;4-butan-2-yl-2-(2-phenylpropan-2-yl)pyridine;7-(3,3-dimethylbutyl)-3-(3H-naphthalen-3-id-2-yl)isoquinoline;tris(iridium);2-[3-(3-methylbutyl)-5H-pyrazol-5-id-1-yl]pyridine;platinum;1,1,1-trifluoro-4-hydroxypent-3-en-2-one.

Molecular Properties

Compound Name3-(5-butan-2-yl-4-fluoro-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide;4-butan-2-yl-2-(2-phenylpropan-2-yl)pyridine;7-(3,3-dimethylbutyl)-3-(3H-naphthalen-3-id-2-yl)isoquinoline;tris(iridium);2-[3-(3-methylbutyl)-5H-pyrazol-5-id-1-yl]pyridine;platinum;1,1,1-trifluoro-4-hydroxypent-3-en-2-one
PubChem CID158211251
Molecular FormulaC75H79F6Ir3N7O2Pt-4
Molecular Weight1996.22 g/mol
Exact Mass1997.48
IUPAC Name3-(5-butan-2-yl-4-fluoro-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide;4-butan-2-yl-2-(2-phenylpropan-2-yl)pyridine;7-(3,3-dimethylbutyl)-3-(3H-naphthalen-3-id-2-yl)isoquinoline;tris(iridium);2-[3-(3-methylbutyl)-5H-pyrazol-5-id-1-yl]pyridine;platinum;1,1,1-trifluoro-4-hydroxypent-3-en-2-one
SMILESCC(C)(C)CCc1ccc2cc(-c3[c-]cc4ccccc4c3)ncc2c1.CC(C)CCc1c[c-]n(-c2ccccn2)n1.CC(O)=CC(=O)C(F)(F)F.CCC(C)c1ccnc(C(C)(C)c2[c-]cccc2)c1.CCC(C)c1cnc(-c2[c-]cc(F)nc2F)cc1F.[Ir].[Ir].[Ir].[Pt]
InChIInChI=1S/C25H24N.C18H22N.C14H12F3N2.C13H16N3.C5H5F3O2.3Ir.Pt/c1-25(2,3)13-12-18-8-9-21-16-24(26-17-23(21)14-18)22-11-10-19-6-4-5-7-20(19)15-22;1-5-14(2)15-11-12-19-17(13-15)18(3,4)16-9-7-6-8-10-16;1-3-8(2)10-7-18-12(6-11(10)15)9-4-5-13(16)19-14(9)17;1-11(2)6-7-12-8-10-16(15-12)13-5-3-4-9-14-13;1-3(9)2-4(10)5(6,7)8;;;;/h4-10,14-17H,12-13H2,1-3H3;6-9,11-14H,5H2,1-4H3;5-8H,3H2,1-2H3;3-5,8-9,11H,6-7H2,1-2H3;2,9H,1H3;;;;/q4*-1;;;;;
InChIKeyLIFYGBPCTRRWIM-UHFFFAOYSA-N
XLogP19.66
TPSA119.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001996.22
LogP ≤ 519.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(5-butan-2-yl-4-fluoro-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide;4-butan-2-yl-2-(2-phenylpropan-2-yl)pyridine;7-(3,3-dimethylbutyl)-3-(3H-naphthalen-3-id-2-yl)isoquinoline;tris(iridium);2-[3-(3-methylbutyl)-5H-pyrazol-5-id-1-yl]pyridine;platinum;1,1,1-trifluoro-4-hydroxypent-3-en-2-one 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

3-(2,3-dihydro-1H-inden-4-yl)-6-(1,2,3,5-tetrahydroinden-5-id-4-yl)-1,2,4,5-tetrazine;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;bis(iridium);iridium(3+);1-methyl-3-(4-methylbenzene-6-id-1-yl)-2H-imidazol-2-ide;3-(6-methyl-1,2,3,4-tetrahydronaphthalen-2-id-1-yl)-6-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4,5-tetrazine;1-phenylisoquinoline;3-pyridin-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine
CID 157096655
CID 158161057
CID 158161057
2-(4-cyclohexyl-1H-naphthalen-1-id-2-yl)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);1-(3,5-dimethylbenzene-6-id-1-yl)-6-(4,4-dimethylcyclohexyl)isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-[(1-methylcyclopentyl)methyl]isoquinoline;tetrakis(iridium);2-methyl-6-phenylpyridine;2-(6-phenyl-3-pyridinyl)-4,6-di(propan-2-yl)-1,3,5-triazine
CID 158353694
2,6-difluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;4-hydroxypent-3-en-2-one;tris(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(3-methyl-2-(3-phenylbenzene-6-id-1-yl)quinoline);platinum(2+)
CID 158741165
3-(5-butan-2-yl-4-fluoro-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide;4-butan-2-yl-2-(2-phenylpropan-2-yl)pyridine;7-(3,3-dimethylbutyl)-3-(3H-naphthalen-3-id-2-yl)isoquinoline;N-(3-imino-6-methylhept-1-enyl)pyridin-2-amine;tris(iridium);platinum;1,1,1-trifluoro-4-hydroxypent-3-en-2-one
CID 159555982
CID 159626656
CID 159626656
cobalt(2+);2-(2,4-difluorobenzene-6-id-1-yl)-4-[2-(1-methylcyclopentyl)propan-2-yl]pyridine;2,6-difluoro-3-[4-fluoro-5-[1-(1-methylcyclopentyl)ethyl]-2-pyridinyl]-4H-pyridin-4-ide;bis(iridium);7-[3-(1-methylcyclohexyl)propyl]-3-(3H-naphthalen-3-id-2-yl)isoquinoline;N'-[(pyridin-2-ylamino)methyl]ethanimidamide;1,1,1-trifluoro-4-hydroxypent-3-en-2-one
CID 159800887
2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2,6-difluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;4-hydroxypent-3-en-2-one;bis(iridium);1-phenylisoquinoline;2-phenylquinoline;tris(platinum(2+));2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine
CID 160043114
4-hydroxypent-3-en-2-one;iridium;3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;2-(2H-naphthalen-2-id-1-yl)pyridine;bis(platinum(2+))
CID 160584823
10H-benzo[h]quinolin-10-ide;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;dysprosium;2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;tetrakis(platinum(2+));1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one;2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[9-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine
CID 161137720
3-(4-Tert-butylbenzene-6-id-1-yl)isoquinoline;bis(4-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)pyridine);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;tetrakis(iridium);bis(3-phenylisoquinoline);3-[4-(trifluoromethyl)benzene-6-id-1-yl]isoquinoline
CID 161485814
CID 161627089
CID 161627089

Frequently Asked Questions

What is the IUPAC name of 3-(5-butan-2-yl-4-fluoro-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide;4-butan-2-yl-2-(2-phenylpropan-2-yl)pyridine;7-(3,3-dimethylbutyl)-3-(3H-naphthalen-3-id-2-yl)isoquinoline;tris(iridium);2-[3-(3-methylbutyl)-5H-pyrazol-5-id-1-yl]pyridine;platinum;1,1,1-trifluoro-4-hydroxypent-3-en-2-one?
The IUPAC name of 3-(5-butan-2-yl-4-fluoro-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide;4-butan-2-yl-2-(2-phenylpropan-2-yl)pyridine;7-(3,3-dimethylbutyl)-3-(3H-naphthalen-3-id-2-yl)isoquinoline;tris(iridium);2-[3-(3-methylbutyl)-5H-pyrazol-5-id-1-yl]pyridine;platinum;1,1,1-trifluoro-4-hydroxypent-3-en-2-one (CID 158211251) is 3-(5-butan-2-yl-4-fluoro-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide;4-butan-2-yl-2-(2-phenylpropan-2-yl)pyridine;7-(3,3-dimethylbutyl)-3-(3H-naphthalen-3-id-2-yl)isoquinoline;tris(iridium);2-[3-(3-methylbutyl)-5H-pyrazol-5-id-1-yl]pyridine;platinum;1,1,1-trifluoro-4-hydroxypent-3-en-2-one.
What is the SMILES notation for 3-(5-butan-2-yl-4-fluoro-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide;4-butan-2-yl-2-(2-phenylpropan-2-yl)pyridine;7-(3,3-dimethylbutyl)-3-(3H-naphthalen-3-id-2-yl)isoquinoline;tris(iridium);2-[3-(3-methylbutyl)-5H-pyrazol-5-id-1-yl]pyridine;platinum;1,1,1-trifluoro-4-hydroxypent-3-en-2-one?
The canonical SMILES for 3-(5-butan-2-yl-4-fluoro-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide;4-butan-2-yl-2-(2-phenylpropan-2-yl)pyridine;7-(3,3-dimethylbutyl)-3-(3H-naphthalen-3-id-2-yl)isoquinoline;tris(iridium);2-[3-(3-methylbutyl)-5H-pyrazol-5-id-1-yl]pyridine;platinum;1,1,1-trifluoro-4-hydroxypent-3-en-2-one is CC(C)(C)CCc1ccc2cc(-c3[c-]cc4ccccc4c3)ncc2c1.CC(C)CCc1c[c-]n(-c2ccccn2)n1.CC(O)=CC(=O)C(F)(F)F.CCC(C)c1ccnc(C(C)(C)c2[c-]cccc2)c1.CCC(C)c1cnc(-c2[c-]cc(F)nc2F)cc1F.[Ir].[Ir].[Ir].[Pt].
What is the InChIKey of 3-(5-butan-2-yl-4-fluoro-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide;4-butan-2-yl-2-(2-phenylpropan-2-yl)pyridine;7-(3,3-dimethylbutyl)-3-(3H-naphthalen-3-id-2-yl)isoquinoline;tris(iridium);2-[3-(3-methylbutyl)-5H-pyrazol-5-id-1-yl]pyridine;platinum;1,1,1-trifluoro-4-hydroxypent-3-en-2-one?
The InChIKey is LIFYGBPCTRRWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N.C18H22N.C14H12F3N2.C13H16N3.C5H5F3O2.3Ir.Pt/c1-25(2,3)13-12-18-8-9-21-16-24(26-17-23(21)14-18)22-11-10-19-6-4-5-7-20(19)15-22;1-5-14(2)15-11-12-19-17(13-15)18(3,4)16-9-7-6-8-10-16;1-3-8(2)10-7-18-12(6-11(10)15)9-4-5-13(16)19-14(9)17;1-11(2)6-7-12-8-10-16(15-12)13-5-3-4-9-14-13;1-3(9)2-4(10)5(6,7)8;;;;/h4-10,14-17H,12-13H2,1-3H3;6-9,11-14H,5H2,1-4H3;5-8H,3H2,1-2H3;3-5,8-9,11H,6-7H2,1-2H3;2,9H,1H3;;;;/q4*-1;;;;;.
What are the key properties of 3-(5-butan-2-yl-4-fluoro-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide;4-butan-2-yl-2-(2-phenylpropan-2-yl)pyridine;7-(3,3-dimethylbutyl)-3-(3H-naphthalen-3-id-2-yl)isoquinoline;tris(iridium);2-[3-(3-methylbutyl)-5H-pyrazol-5-id-1-yl]pyridine;platinum;1,1,1-trifluoro-4-hydroxypent-3-en-2-one?
3-(5-butan-2-yl-4-fluoro-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide;4-butan-2-yl-2-(2-phenylpropan-2-yl)pyridine;7-(3,3-dimethylbutyl)-3-(3H-naphthalen-3-id-2-yl)isoquinoline;tris(iridium);2-[3-(3-methylbutyl)-5H-pyrazol-5-id-1-yl]pyridine;platinum;1,1,1-trifluoro-4-hydroxypent-3-en-2-one has a molecular weight of 1996.22 g/mol, XLogP of 19.66, 15 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-butan-2-yl-4-fluoro-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide;4-butan-2-yl-2-(2-phenylpropan-2-yl)pyridine;7-(3,3-dimethylbutyl)-3-(3H-naphthalen-3-id-2-yl)isoquinoline;tris(iridium);2-[3-(3-methylbutyl)-5H-pyrazol-5-id-1-yl]pyridine;platinum;1,1,1-trifluoro-4-hydroxypent-3-en-2-one is sourced from PubChem (CID 158211251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).