1-(3-tert-butylpyrazol-1-id-5-yl)-3-(5-ethyl-4-methylpyrazol-2-id-3-yl)isoquinoline;1-(3-tert-butylpyrazol-1-id-5-yl)-3-indazol-2-id-3-ylisoquinoline;1-(3-tert-butylpyrazol-1-id-5-yl)-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)isoquinoline;3,5-ditert-butylpyridine;1-(5-ethyl-4-methylpyrazol-2-id-3-yl)-3-(3-methyl-4,5,6,7-tetrahydroisoindol-2-id-1-yl)isoquinoline;isoquinoline;tetrakis(platinum(2+));4-(trifluoromethyl)pyridine;trimethyl(pyridin-4-yl)silane

C128H134F3N23Pt4Si — CID 157404300

IUPAC1-(3-tert-butylpyrazol-1-id-5-yl)-3-(5-ethyl-4-methylpyrazol-2-id-3-yl)isoquinoline;1-(3-tert-butylpyrazol-1-id-5-yl)-3-indazol-2-id-3-ylisoquinoline;1-(3-tert-butylpyrazol-1-id-5-yl)-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)isoquinoline;3,5-ditert-butylpyridine;1-(5-ethyl-4-methylpyrazol-2-id-3-yl)-3-(3-methyl-4,5,6,7-tetrahydroisoindol-2-id-1-yl)isoquinoline;isoquinoline;tetrakis(platinum(2+));4-(trifluoromethyl)pyridine;trimethyl(pyridin-4-yl)silane
SMILESCC(C)(C)c1cc(-c2nc(-c3[n-]nc4c3CCCC4)cc3ccccc23)[n-]n1.CC(C)(C)c1cc(-c2nc(-c3[n-]nc4ccccc34)cc3ccccc23)[n-]n1.CC(C)(C)c1cncc(C(C)(C)C)c1.CCc1n[n-]c(-c2cc3ccccc3c(-c3cc(C(C)(C)C)n[n-]3)n2)c1C.CCc1n[n-]c(-c2nc(-c3[n-]c(C)c4c3CCCC4)cc3ccccc23)c1C.C[Si](C)(C)c1ccncc1.FC(F)(F)c1ccncc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].c1ccc2cnccc2c1
InChIInChI=1S/C24H24N4.C23H23N5.C23H19N5.C22H23N5.C13H21N.C9H7N.C8H13NSi.C6H4F3N.4Pt/c1-4-20-14(2)22(28-27-20)24-18-11-6-5-9-16(18)13-21(26-24)23-19-12-8-7-10-17(19)15(3)25-23;2*1-23(2,3)20-13-19(26-27-20)21-15-9-5-4-8-14(15)12-18(24-21)22-16-10-6-7-11-17(16)25-28-22;1-6-16-13(2)20(27-24-16)17-11-14-9-7-8-10-15(14)21(23-17)18-12-19(26-25-18)22(3,4)5;1-12(2,3)10-7-11(9-14-8-10)13(4,5)6;1-2-4-9-7-10-6-5-8(9)3-1;1-10(2,3)8-4-6-9-7-5-8;7-6(8,9)5-1-3-10-4-2-5;;;;/h5-6,9,11,13H,4,7-8,10,12H2,1-3H3;4-5,8-9,12-13H,6-7,10-11H2,1-3H3;4-13H,1-3H3;7-12H,6H2,1-5H3;7-9H,1-6H3;1-7H;4-7H,1-3H3;1-4H;;;;/q4*-2;;;;;4*+2
InChIKeyBNNQZNLFZRKAPL-UHFFFAOYSA-N
MW2860.03 g/mol
LogP28.18
Rot. Bonds11

About 1-(3-tert-butylpyrazol-1-id-5-yl)-3-(5-ethyl-4-methylpyrazol-2-id-3-yl)isoquinoline;1-(3-tert-butylpyrazol-1-id-5-yl)-3-indazol-2-id-3-ylisoquinoline;1-(3-tert-butylpyrazol-1-id-5-yl)-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)isoquinoline;3,5-ditert-butylpyridine;1-(5-ethyl-4-methylpyrazol-2-id-3-yl)-3-(3-methyl-4,5,6,7-tetrahydroisoindol-2-id-1-yl)isoquinoline;isoquinoline;tetrakis(platinum(2+));4-(trifluoromethyl)pyridine;trimethyl(pyridin-4-yl)silane

1-(3-tert-butylpyrazol-1-id-5-yl)-3-(5-ethyl-4-methylpyrazol-2-id-3-yl)isoquinoline;1-(3-tert-butylpyrazol-1-id-5-yl)-3-indazol-2-id-3-ylisoquinoline;1-(3-tert-butylpyrazol-1-id-5-yl)-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)isoquinoline;3,5-ditert-butylpyridine;1-(5-ethyl-4-methylpyrazol-2-id-3-yl)-3-(3-methyl-4,5,6,7-tetrahydroisoindol-2-id-1-yl)isoquinoline;isoquinoline;tetrakis(platinum(2+));4-(trifluoromethyl)pyridine;trimethyl(pyridin-4-yl)silane (PubChem CID 157404300) has the molecular formula C128H134F3N23Pt4Si and a molecular weight of 2860.03 g/mol. Its IUPAC name is 1-(3-tert-butylpyrazol-1-id-5-yl)-3-(5-ethyl-4-methylpyrazol-2-id-3-yl)isoquinoline;1-(3-tert-butylpyrazol-1-id-5-yl)-3-indazol-2-id-3-ylisoquinoline;1-(3-tert-butylpyrazol-1-id-5-yl)-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)isoquinoline;3,5-ditert-butylpyridine;1-(5-ethyl-4-methylpyrazol-2-id-3-yl)-3-(3-methyl-4,5,6,7-tetrahydroisoindol-2-id-1-yl)isoquinoline;isoquinoline;tetrakis(platinum(2+));4-(trifluoromethyl)pyridine;trimethyl(pyridin-4-yl)silane.

Molecular Properties

Compound Name1-(3-tert-butylpyrazol-1-id-5-yl)-3-(5-ethyl-4-methylpyrazol-2-id-3-yl)isoquinoline;1-(3-tert-butylpyrazol-1-id-5-yl)-3-indazol-2-id-3-ylisoquinoline;1-(3-tert-butylpyrazol-1-id-5-yl)-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)isoquinoline;3,5-ditert-butylpyridine;1-(5-ethyl-4-methylpyrazol-2-id-3-yl)-3-(3-methyl-4,5,6,7-tetrahydroisoindol-2-id-1-yl)isoquinoline;isoquinoline;tetrakis(platinum(2+));4-(trifluoromethyl)pyridine;trimethyl(pyridin-4-yl)silane
PubChem CID157404300
Molecular FormulaC128H134F3N23Pt4Si
Molecular Weight2860.03 g/mol
Exact Mass2857.95
IUPAC Name1-(3-tert-butylpyrazol-1-id-5-yl)-3-(5-ethyl-4-methylpyrazol-2-id-3-yl)isoquinoline;1-(3-tert-butylpyrazol-1-id-5-yl)-3-indazol-2-id-3-ylisoquinoline;1-(3-tert-butylpyrazol-1-id-5-yl)-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)isoquinoline;3,5-ditert-butylpyridine;1-(5-ethyl-4-methylpyrazol-2-id-3-yl)-3-(3-methyl-4,5,6,7-tetrahydroisoindol-2-id-1-yl)isoquinoline;isoquinoline;tetrakis(platinum(2+));4-(trifluoromethyl)pyridine;trimethyl(pyridin-4-yl)silane
SMILESCC(C)(C)c1cc(-c2nc(-c3[n-]nc4c3CCCC4)cc3ccccc23)[n-]n1.CC(C)(C)c1cc(-c2nc(-c3[n-]nc4ccccc34)cc3ccccc23)[n-]n1.CC(C)(C)c1cncc(C(C)(C)C)c1.CCc1n[n-]c(-c2cc3ccccc3c(-c3cc(C(C)(C)C)n[n-]3)n2)c1C.CCc1n[n-]c(-c2nc(-c3[n-]c(C)c4c3CCCC4)cc3ccccc23)c1C.C[Si](C)(C)c1ccncc1.FC(F)(F)c1ccncc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].c1ccc2cnccc2c1
InChIInChI=1S/C24H24N4.C23H23N5.C23H19N5.C22H23N5.C13H21N.C9H7N.C8H13NSi.C6H4F3N.4Pt/c1-4-20-14(2)22(28-27-20)24-18-11-6-5-9-16(18)13-21(26-24)23-19-12-8-7-10-17(19)15(3)25-23;2*1-23(2,3)20-13-19(26-27-20)21-15-9-5-4-8-14(15)12-18(24-21)22-16-10-6-7-11-17(16)25-28-22;1-6-16-13(2)20(27-24-16)17-11-14-9-7-8-10-15(14)21(23-17)18-12-19(26-25-18)22(3,4)5;1-12(2,3)10-7-11(9-14-8-10)13(4,5)6;1-2-4-9-7-10-6-5-8(9)3-1;1-10(2,3)8-4-6-9-7-5-8;7-6(8,9)5-1-3-10-4-2-5;;;;/h5-6,9,11,13H,4,7-8,10,12H2,1-3H3;4-5,8-9,12-13H,6-7,10-11H2,1-3H3;4-13H,1-3H3;7-12H,6H2,1-5H3;7-9H,1-6H3;1-7H;4-7H,1-3H3;1-4H;;;;/q4*-2;;;;;4*+2
InChIKeyBNNQZNLFZRKAPL-UHFFFAOYSA-N
XLogP28.18
TPSA306.15 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms159
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002860.03
LogP ≤ 528.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 1-(3-tert-butylpyrazol-1-id-5-yl)-3-(5-ethyl-4-methylpyrazol-2-id-3-yl)isoquinoline;1-(3-tert-butylpyrazol-1-id-5-yl)-3-indazol-2-id-3-ylisoquinoline;1-(3-tert-butylpyrazol-1-id-5-yl)-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)isoquinoline;3,5-ditert-butylpyridine;1-(5-ethyl-4-methylpyrazol-2-id-3-yl)-3-(3-methyl-4,5,6,7-tetrahydroisoindol-2-id-1-yl)isoquinoline;isoquinoline;tetrakis(platinum(2+));4-(trifluoromethyl)pyridine;trimethyl(pyridin-4-yl)silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butylpyrazol-1-id-5-yl)-3-(5-ethyl-4-methylpyrazol-2-id-3-yl)isoquinoline;1-(3-tert-butylpyrazol-1-id-5-yl)-3-indazol-2-id-3-ylisoquinoline;1-(3-tert-butylpyrazol-1-id-5-yl)-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)isoquinoline;3,5-ditert-butylpyridine;1-(5-ethyl-4-methylpyrazol-2-id-3-yl)-3-(3-methyl-4,5,6,7-tetrahydroisoindol-2-id-1-yl)isoquinoline;isoquinoline;tetrakis(platinum(2+));4-(trifluoromethyl)pyridine;trimethyl(pyridin-4-yl)silane?
The IUPAC name of 1-(3-tert-butylpyrazol-1-id-5-yl)-3-(5-ethyl-4-methylpyrazol-2-id-3-yl)isoquinoline;1-(3-tert-butylpyrazol-1-id-5-yl)-3-indazol-2-id-3-ylisoquinoline;1-(3-tert-butylpyrazol-1-id-5-yl)-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)isoquinoline;3,5-ditert-butylpyridine;1-(5-ethyl-4-methylpyrazol-2-id-3-yl)-3-(3-methyl-4,5,6,7-tetrahydroisoindol-2-id-1-yl)isoquinoline;isoquinoline;tetrakis(platinum(2+));4-(trifluoromethyl)pyridine;trimethyl(pyridin-4-yl)silane (CID 157404300) is 1-(3-tert-butylpyrazol-1-id-5-yl)-3-(5-ethyl-4-methylpyrazol-2-id-3-yl)isoquinoline;1-(3-tert-butylpyrazol-1-id-5-yl)-3-indazol-2-id-3-ylisoquinoline;1-(3-tert-butylpyrazol-1-id-5-yl)-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)isoquinoline;3,5-ditert-butylpyridine;1-(5-ethyl-4-methylpyrazol-2-id-3-yl)-3-(3-methyl-4,5,6,7-tetrahydroisoindol-2-id-1-yl)isoquinoline;isoquinoline;tetrakis(platinum(2+));4-(trifluoromethyl)pyridine;trimethyl(pyridin-4-yl)silane.
What is the SMILES notation for 1-(3-tert-butylpyrazol-1-id-5-yl)-3-(5-ethyl-4-methylpyrazol-2-id-3-yl)isoquinoline;1-(3-tert-butylpyrazol-1-id-5-yl)-3-indazol-2-id-3-ylisoquinoline;1-(3-tert-butylpyrazol-1-id-5-yl)-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)isoquinoline;3,5-ditert-butylpyridine;1-(5-ethyl-4-methylpyrazol-2-id-3-yl)-3-(3-methyl-4,5,6,7-tetrahydroisoindol-2-id-1-yl)isoquinoline;isoquinoline;tetrakis(platinum(2+));4-(trifluoromethyl)pyridine;trimethyl(pyridin-4-yl)silane?
The canonical SMILES for 1-(3-tert-butylpyrazol-1-id-5-yl)-3-(5-ethyl-4-methylpyrazol-2-id-3-yl)isoquinoline;1-(3-tert-butylpyrazol-1-id-5-yl)-3-indazol-2-id-3-ylisoquinoline;1-(3-tert-butylpyrazol-1-id-5-yl)-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)isoquinoline;3,5-ditert-butylpyridine;1-(5-ethyl-4-methylpyrazol-2-id-3-yl)-3-(3-methyl-4,5,6,7-tetrahydroisoindol-2-id-1-yl)isoquinoline;isoquinoline;tetrakis(platinum(2+));4-(trifluoromethyl)pyridine;trimethyl(pyridin-4-yl)silane is CC(C)(C)c1cc(-c2nc(-c3[n-]nc4c3CCCC4)cc3ccccc23)[n-]n1.CC(C)(C)c1cc(-c2nc(-c3[n-]nc4ccccc34)cc3ccccc23)[n-]n1.CC(C)(C)c1cncc(C(C)(C)C)c1.CCc1n[n-]c(-c2cc3ccccc3c(-c3cc(C(C)(C)C)n[n-]3)n2)c1C.CCc1n[n-]c(-c2nc(-c3[n-]c(C)c4c3CCCC4)cc3ccccc23)c1C.C[Si](C)(C)c1ccncc1.FC(F)(F)c1ccncc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].c1ccc2cnccc2c1.
What is the InChIKey of 1-(3-tert-butylpyrazol-1-id-5-yl)-3-(5-ethyl-4-methylpyrazol-2-id-3-yl)isoquinoline;1-(3-tert-butylpyrazol-1-id-5-yl)-3-indazol-2-id-3-ylisoquinoline;1-(3-tert-butylpyrazol-1-id-5-yl)-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)isoquinoline;3,5-ditert-butylpyridine;1-(5-ethyl-4-methylpyrazol-2-id-3-yl)-3-(3-methyl-4,5,6,7-tetrahydroisoindol-2-id-1-yl)isoquinoline;isoquinoline;tetrakis(platinum(2+));4-(trifluoromethyl)pyridine;trimethyl(pyridin-4-yl)silane?
The InChIKey is BNNQZNLFZRKAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4.C23H23N5.C23H19N5.C22H23N5.C13H21N.C9H7N.C8H13NSi.C6H4F3N.4Pt/c1-4-20-14(2)22(28-27-20)24-18-11-6-5-9-16(18)13-21(26-24)23-19-12-8-7-10-17(19)15(3)25-23;2*1-23(2,3)20-13-19(26-27-20)21-15-9-5-4-8-14(15)12-18(24-21)22-16-10-6-7-11-17(16)25-28-22;1-6-16-13(2)20(27-24-16)17-11-14-9-7-8-10-15(14)21(23-17)18-12-19(26-25-18)22(3,4)5;1-12(2,3)10-7-11(9-14-8-10)13(4,5)6;1-2-4-9-7-10-6-5-8(9)3-1;1-10(2,3)8-4-6-9-7-5-8;7-6(8,9)5-1-3-10-4-2-5;;;;/h5-6,9,11,13H,4,7-8,10,12H2,1-3H3;4-5,8-9,12-13H,6-7,10-11H2,1-3H3;4-13H,1-3H3;7-12H,6H2,1-5H3;7-9H,1-6H3;1-7H;4-7H,1-3H3;1-4H;;;;/q4*-2;;;;;4*+2.
What are the key properties of 1-(3-tert-butylpyrazol-1-id-5-yl)-3-(5-ethyl-4-methylpyrazol-2-id-3-yl)isoquinoline;1-(3-tert-butylpyrazol-1-id-5-yl)-3-indazol-2-id-3-ylisoquinoline;1-(3-tert-butylpyrazol-1-id-5-yl)-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)isoquinoline;3,5-ditert-butylpyridine;1-(5-ethyl-4-methylpyrazol-2-id-3-yl)-3-(3-methyl-4,5,6,7-tetrahydroisoindol-2-id-1-yl)isoquinoline;isoquinoline;tetrakis(platinum(2+));4-(trifluoromethyl)pyridine;trimethyl(pyridin-4-yl)silane?
1-(3-tert-butylpyrazol-1-id-5-yl)-3-(5-ethyl-4-methylpyrazol-2-id-3-yl)isoquinoline;1-(3-tert-butylpyrazol-1-id-5-yl)-3-indazol-2-id-3-ylisoquinoline;1-(3-tert-butylpyrazol-1-id-5-yl)-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)isoquinoline;3,5-ditert-butylpyridine;1-(5-ethyl-4-methylpyrazol-2-id-3-yl)-3-(3-methyl-4,5,6,7-tetrahydroisoindol-2-id-1-yl)isoquinoline;isoquinoline;tetrakis(platinum(2+));4-(trifluoromethyl)pyridine;trimethyl(pyridin-4-yl)silane has a molecular weight of 2860.03 g/mol, XLogP of 28.18, 11 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butylpyrazol-1-id-5-yl)-3-(5-ethyl-4-methylpyrazol-2-id-3-yl)isoquinoline;1-(3-tert-butylpyrazol-1-id-5-yl)-3-indazol-2-id-3-ylisoquinoline;1-(3-tert-butylpyrazol-1-id-5-yl)-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)isoquinoline;3,5-ditert-butylpyridine;1-(5-ethyl-4-methylpyrazol-2-id-3-yl)-3-(3-methyl-4,5,6,7-tetrahydroisoindol-2-id-1-yl)isoquinoline;isoquinoline;tetrakis(platinum(2+));4-(trifluoromethyl)pyridine;trimethyl(pyridin-4-yl)silane is sourced from PubChem (CID 157404300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).