1-(3-tert-butylpyrazol-1-id-5-yl)-3-(5-ethyl-4-methylpyrazol-2-id-3-yl)-2,7-naphthyridine;1-(3-tert-butylpyrazol-1-id-5-yl)-3-indazol-2-id-3-yl-2,7-naphthyridine;1-(3-tert-butylpyrazol-1-id-5-yl)-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)-2,7-naphthyridine;tetrakis(4-tert-butylpyridine);1-(5-ethyl-4-methylpyrazol-2-id-3-yl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-1-ium-2-id-3-yl)-2,7-naphthyridine;tetrakis(platinum(2+))

C123H137N28Pt4+ — CID 159922216

IUPAC1-(3-tert-butylpyrazol-1-id-5-yl)-3-(5-ethyl-4-methylpyrazol-2-id-3-yl)-2,7-naphthyridine;1-(3-tert-butylpyrazol-1-id-5-yl)-3-indazol-2-id-3-yl-2,7-naphthyridine;1-(3-tert-butylpyrazol-1-id-5-yl)-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)-2,7-naphthyridine;tetrakis(4-tert-butylpyridine);1-(5-ethyl-4-methylpyrazol-2-id-3-yl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-1-ium-2-id-3-yl)-2,7-naphthyridine;tetrakis(platinum(2+))
SMILESCC(C)(C)c1cc(-c2nc(-c3[n-]nc4c3CCCC4)cc3ccncc23)[n-]n1.CC(C)(C)c1cc(-c2nc(-c3[n-]nc4ccccc34)cc3ccncc23)[n-]n1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncc1.CCc1n[n-]c(-c2cc3ccncc3c(-c3cc(C(C)(C)C)n[n-]3)n2)c1C.CCc1n[n-]c(-c2nc(-c3[n-][n+](C)c4c3CCCC4)cc3ccncc23)c1C.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C22H22N6.C22H18N6.C22H23N6.C21H22N6.4C9H13N.4Pt/c2*1-22(2,3)19-11-18(26-27-19)20-15-12-23-9-8-13(15)10-17(24-20)21-14-6-4-5-7-16(14)25-28-21;1-4-17-13(2)20(26-25-17)22-16-12-23-10-9-14(16)11-18(24-22)21-15-7-5-6-8-19(15)28(3)27-21;1-6-15-12(2)19(27-24-15)16-9-13-7-8-22-11-14(13)20(23-16)17-10-18(26-25-17)21(3,4)5;4*1-9(2,3)8-4-6-10-7-5-8;;;;/h8-12H,4-7H2,1-3H3;4-12H,1-3H3;9-12H,4-8H2,1-3H3;7-11H,6H2,1-5H3;4*4-7H,1-3H3;;;;/q2*-2;-1;-2;;;;;4*+2
InChIKeyIYXPBTQISRBLGO-UHFFFAOYSA-N
MW2787.96 g/mol
LogP24.15
Rot. Bonds10

About 1-(3-tert-butylpyrazol-1-id-5-yl)-3-(5-ethyl-4-methylpyrazol-2-id-3-yl)-2,7-naphthyridine;1-(3-tert-butylpyrazol-1-id-5-yl)-3-indazol-2-id-3-yl-2,7-naphthyridine;1-(3-tert-butylpyrazol-1-id-5-yl)-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)-2,7-naphthyridine;tetrakis(4-tert-butylpyridine);1-(5-ethyl-4-methylpyrazol-2-id-3-yl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-1-ium-2-id-3-yl)-2,7-naphthyridine;tetrakis(platinum(2+))

1-(3-tert-butylpyrazol-1-id-5-yl)-3-(5-ethyl-4-methylpyrazol-2-id-3-yl)-2,7-naphthyridine;1-(3-tert-butylpyrazol-1-id-5-yl)-3-indazol-2-id-3-yl-2,7-naphthyridine;1-(3-tert-butylpyrazol-1-id-5-yl)-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)-2,7-naphthyridine;tetrakis(4-tert-butylpyridine);1-(5-ethyl-4-methylpyrazol-2-id-3-yl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-1-ium-2-id-3-yl)-2,7-naphthyridine;tetrakis(platinum(2+)) (PubChem CID 159922216) has the molecular formula C123H137N28Pt4+ and a molecular weight of 2787.96 g/mol. Its IUPAC name is 1-(3-tert-butylpyrazol-1-id-5-yl)-3-(5-ethyl-4-methylpyrazol-2-id-3-yl)-2,7-naphthyridine;1-(3-tert-butylpyrazol-1-id-5-yl)-3-indazol-2-id-3-yl-2,7-naphthyridine;1-(3-tert-butylpyrazol-1-id-5-yl)-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)-2,7-naphthyridine;tetrakis(4-tert-butylpyridine);1-(5-ethyl-4-methylpyrazol-2-id-3-yl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-1-ium-2-id-3-yl)-2,7-naphthyridine;tetrakis(platinum(2+)).

Molecular Properties

Compound Name1-(3-tert-butylpyrazol-1-id-5-yl)-3-(5-ethyl-4-methylpyrazol-2-id-3-yl)-2,7-naphthyridine;1-(3-tert-butylpyrazol-1-id-5-yl)-3-indazol-2-id-3-yl-2,7-naphthyridine;1-(3-tert-butylpyrazol-1-id-5-yl)-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)-2,7-naphthyridine;tetrakis(4-tert-butylpyridine);1-(5-ethyl-4-methylpyrazol-2-id-3-yl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-1-ium-2-id-3-yl)-2,7-naphthyridine;tetrakis(platinum(2+))
PubChem CID159922216
Molecular FormulaC123H137N28Pt4+
Molecular Weight2787.96 g/mol
Exact Mass2786.02
IUPAC Name1-(3-tert-butylpyrazol-1-id-5-yl)-3-(5-ethyl-4-methylpyrazol-2-id-3-yl)-2,7-naphthyridine;1-(3-tert-butylpyrazol-1-id-5-yl)-3-indazol-2-id-3-yl-2,7-naphthyridine;1-(3-tert-butylpyrazol-1-id-5-yl)-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)-2,7-naphthyridine;tetrakis(4-tert-butylpyridine);1-(5-ethyl-4-methylpyrazol-2-id-3-yl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-1-ium-2-id-3-yl)-2,7-naphthyridine;tetrakis(platinum(2+))
SMILESCC(C)(C)c1cc(-c2nc(-c3[n-]nc4c3CCCC4)cc3ccncc23)[n-]n1.CC(C)(C)c1cc(-c2nc(-c3[n-]nc4ccccc34)cc3ccncc23)[n-]n1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncc1.CCc1n[n-]c(-c2cc3ccncc3c(-c3cc(C(C)(C)C)n[n-]3)n2)c1C.CCc1n[n-]c(-c2nc(-c3[n-][n+](C)c4c3CCCC4)cc3ccncc23)c1C.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C22H22N6.C22H18N6.C22H23N6.C21H22N6.4C9H13N.4Pt/c2*1-22(2,3)19-11-18(26-27-19)20-15-12-23-9-8-13(15)10-17(24-20)21-14-6-4-5-7-16(14)25-28-21;1-4-17-13(2)20(26-25-17)22-16-12-23-10-9-14(16)11-18(24-22)21-15-7-5-6-8-19(15)28(3)27-21;1-6-15-12(2)19(27-24-15)16-9-13-7-8-22-11-14(13)20(23-16)17-10-18(26-25-17)21(3,4)5;4*1-9(2,3)8-4-6-10-7-5-8;;;;/h8-12H,4-7H2,1-3H3;4-12H,1-3H3;9-12H,4-8H2,1-3H3;7-11H,6H2,1-5H3;4*4-7H,1-3H3;;;;/q2*-2;-1;-2;;;;;4*+2
InChIKeyIYXPBTQISRBLGO-UHFFFAOYSA-N
XLogP24.15
TPSA361.59 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds10
Heavy Atoms155
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002787.96
LogP ≤ 524.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 1-(3-tert-butylpyrazol-1-id-5-yl)-3-(5-ethyl-4-methylpyrazol-2-id-3-yl)-2,7-naphthyridine;1-(3-tert-butylpyrazol-1-id-5-yl)-3-indazol-2-id-3-yl-2,7-naphthyridine;1-(3-tert-butylpyrazol-1-id-5-yl)-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)-2,7-naphthyridine;tetrakis(4-tert-butylpyridine);1-(5-ethyl-4-methylpyrazol-2-id-3-yl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-1-ium-2-id-3-yl)-2,7-naphthyridine;tetrakis(platinum(2+)) 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)-2,7-naphthyridine;1-(3-tert-butylpyrazol-1-id-5-yl)-3-indazol-2-id-3-yl-2,7-naphthyridine;1-(3-tert-butylpyrazol-1-id-5-yl)-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)-2,7-naphthyridine;tetrakis(4-tert-butylpyridine);1-(5-ethyl-4-methylpyrazol-2-id-3-yl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-1-ium-2-id-3-yl)-2,7-naphthyridine;tetrakis(platinum(2+))?
The IUPAC name of 1-(3-tert-butylpyrazol-1-id-5-yl)-3-(5-ethyl-4-methylpyrazol-2-id-3-yl)-2,7-naphthyridine;1-(3-tert-butylpyrazol-1-id-5-yl)-3-indazol-2-id-3-yl-2,7-naphthyridine;1-(3-tert-butylpyrazol-1-id-5-yl)-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)-2,7-naphthyridine;tetrakis(4-tert-butylpyridine);1-(5-ethyl-4-methylpyrazol-2-id-3-yl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-1-ium-2-id-3-yl)-2,7-naphthyridine;tetrakis(platinum(2+)) (CID 159922216) is 1-(3-tert-butylpyrazol-1-id-5-yl)-3-(5-ethyl-4-methylpyrazol-2-id-3-yl)-2,7-naphthyridine;1-(3-tert-butylpyrazol-1-id-5-yl)-3-indazol-2-id-3-yl-2,7-naphthyridine;1-(3-tert-butylpyrazol-1-id-5-yl)-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)-2,7-naphthyridine;tetrakis(4-tert-butylpyridine);1-(5-ethyl-4-methylpyrazol-2-id-3-yl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-1-ium-2-id-3-yl)-2,7-naphthyridine;tetrakis(platinum(2+)).
What is the SMILES notation for 1-(3-tert-butylpyrazol-1-id-5-yl)-3-(5-ethyl-4-methylpyrazol-2-id-3-yl)-2,7-naphthyridine;1-(3-tert-butylpyrazol-1-id-5-yl)-3-indazol-2-id-3-yl-2,7-naphthyridine;1-(3-tert-butylpyrazol-1-id-5-yl)-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)-2,7-naphthyridine;tetrakis(4-tert-butylpyridine);1-(5-ethyl-4-methylpyrazol-2-id-3-yl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-1-ium-2-id-3-yl)-2,7-naphthyridine;tetrakis(platinum(2+))?
The canonical SMILES for 1-(3-tert-butylpyrazol-1-id-5-yl)-3-(5-ethyl-4-methylpyrazol-2-id-3-yl)-2,7-naphthyridine;1-(3-tert-butylpyrazol-1-id-5-yl)-3-indazol-2-id-3-yl-2,7-naphthyridine;1-(3-tert-butylpyrazol-1-id-5-yl)-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)-2,7-naphthyridine;tetrakis(4-tert-butylpyridine);1-(5-ethyl-4-methylpyrazol-2-id-3-yl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-1-ium-2-id-3-yl)-2,7-naphthyridine;tetrakis(platinum(2+)) is CC(C)(C)c1cc(-c2nc(-c3[n-]nc4c3CCCC4)cc3ccncc23)[n-]n1.CC(C)(C)c1cc(-c2nc(-c3[n-]nc4ccccc34)cc3ccncc23)[n-]n1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncc1.CCc1n[n-]c(-c2cc3ccncc3c(-c3cc(C(C)(C)C)n[n-]3)n2)c1C.CCc1n[n-]c(-c2nc(-c3[n-][n+](C)c4c3CCCC4)cc3ccncc23)c1C.[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of 1-(3-tert-butylpyrazol-1-id-5-yl)-3-(5-ethyl-4-methylpyrazol-2-id-3-yl)-2,7-naphthyridine;1-(3-tert-butylpyrazol-1-id-5-yl)-3-indazol-2-id-3-yl-2,7-naphthyridine;1-(3-tert-butylpyrazol-1-id-5-yl)-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)-2,7-naphthyridine;tetrakis(4-tert-butylpyridine);1-(5-ethyl-4-methylpyrazol-2-id-3-yl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-1-ium-2-id-3-yl)-2,7-naphthyridine;tetrakis(platinum(2+))?
The InChIKey is IYXPBTQISRBLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6.C22H18N6.C22H23N6.C21H22N6.4C9H13N.4Pt/c2*1-22(2,3)19-11-18(26-27-19)20-15-12-23-9-8-13(15)10-17(24-20)21-14-6-4-5-7-16(14)25-28-21;1-4-17-13(2)20(26-25-17)22-16-12-23-10-9-14(16)11-18(24-22)21-15-7-5-6-8-19(15)28(3)27-21;1-6-15-12(2)19(27-24-15)16-9-13-7-8-22-11-14(13)20(23-16)17-10-18(26-25-17)21(3,4)5;4*1-9(2,3)8-4-6-10-7-5-8;;;;/h8-12H,4-7H2,1-3H3;4-12H,1-3H3;9-12H,4-8H2,1-3H3;7-11H,6H2,1-5H3;4*4-7H,1-3H3;;;;/q2*-2;-1;-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)-2,7-naphthyridine;1-(3-tert-butylpyrazol-1-id-5-yl)-3-indazol-2-id-3-yl-2,7-naphthyridine;1-(3-tert-butylpyrazol-1-id-5-yl)-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)-2,7-naphthyridine;tetrakis(4-tert-butylpyridine);1-(5-ethyl-4-methylpyrazol-2-id-3-yl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-1-ium-2-id-3-yl)-2,7-naphthyridine;tetrakis(platinum(2+))?
1-(3-tert-butylpyrazol-1-id-5-yl)-3-(5-ethyl-4-methylpyrazol-2-id-3-yl)-2,7-naphthyridine;1-(3-tert-butylpyrazol-1-id-5-yl)-3-indazol-2-id-3-yl-2,7-naphthyridine;1-(3-tert-butylpyrazol-1-id-5-yl)-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)-2,7-naphthyridine;tetrakis(4-tert-butylpyridine);1-(5-ethyl-4-methylpyrazol-2-id-3-yl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-1-ium-2-id-3-yl)-2,7-naphthyridine;tetrakis(platinum(2+)) has a molecular weight of 2787.96 g/mol, XLogP of 24.15, 10 rotatable bonds, 0 hydrogen bond donors, and 19 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)-2,7-naphthyridine;1-(3-tert-butylpyrazol-1-id-5-yl)-3-indazol-2-id-3-yl-2,7-naphthyridine;1-(3-tert-butylpyrazol-1-id-5-yl)-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)-2,7-naphthyridine;tetrakis(4-tert-butylpyridine);1-(5-ethyl-4-methylpyrazol-2-id-3-yl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-1-ium-2-id-3-yl)-2,7-naphthyridine;tetrakis(platinum(2+)) is sourced from PubChem (CID 159922216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).