2-bromo-6-(3-methylpyrazol-1-yl)pyridine;2,6-dibromopyridine;2,6-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]-6-(3-methyl-5H-pyrazol-5-id-1-yl)-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;N-[2,6-di(propan-2-yl)phenyl]-6-(3-methylpyrazol-1-yl)-N-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridin-2-amine;5-methyl-2H-pyrrole;platinum(2+);hydrofluoride

C91H96Br3F7N20Pt — CID 160991175

IUPAC2-bromo-6-(3-methylpyrazol-1-yl)pyridine;2,6-dibromopyridine;2,6-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]-6-(3-methyl-5H-pyrazol-5-id-1-yl)-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;N-[2,6-di(propan-2-yl)phenyl]-6-(3-methylpyrazol-1-yl)-N-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridin-2-amine;5-methyl-2H-pyrrole;platinum(2+);hydrofluoride
SMILESBrc1cccc(Br)n1.CC(C)c1cccc(C(C)C)c1N.CC1=NCC=C1.Cc1c[c-]n(-c2cccc(N(c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)c3c(C(C)C)cccc3C(C)C)n2)n1.Cc1ccn(-c2cccc(Br)n2)n1.Cc1ccn(-c2cccc(N(c3cccc(-n4ccc(C(F)(F)F)n4)n3)c3c(C(C)C)cccc3C(C)C)n2)n1.F.[Pt+2]
InChIInChI=1S/C30H30F3N7.C30H28F3N7.C12H19N.C9H8BrN3.C5H3Br2N.C5H7N.FH.Pt/c2*1-19(2)22-9-6-10-23(20(3)4)29(22)40(27-13-7-11-25(34-27)38-17-15-21(5)36-38)28-14-8-12-26(35-28)39-18-16-24(37-39)30(31,32)33;1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-7-5-6-13(12-7)9-4-2-3-8(10)11-9;6-4-2-1-3-5(7)8-4;1-5-3-2-4-6-5;;/h6-20H,1-5H3;6-16,19-20H,1-5H3;5-9H,13H2,1-4H3;2-6H,1H3;1-3H;2-3H,4H2,1H3;1H;/q;-2;;;;;;+2
InChIKeyHCWTWMFZBQPOBU-UHFFFAOYSA-N
MW2037.68 g/mol
LogP25.01
Rot. Bonds17

About 2-bromo-6-(3-methylpyrazol-1-yl)pyridine;2,6-dibromopyridine;2,6-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]-6-(3-methyl-5H-pyrazol-5-id-1-yl)-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;N-[2,6-di(propan-2-yl)phenyl]-6-(3-methylpyrazol-1-yl)-N-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridin-2-amine;5-methyl-2H-pyrrole;platinum(2+);hydrofluoride

2-bromo-6-(3-methylpyrazol-1-yl)pyridine;2,6-dibromopyridine;2,6-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]-6-(3-methyl-5H-pyrazol-5-id-1-yl)-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;N-[2,6-di(propan-2-yl)phenyl]-6-(3-methylpyrazol-1-yl)-N-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridin-2-amine;5-methyl-2H-pyrrole;platinum(2+);hydrofluoride (PubChem CID 160991175) has the molecular formula C91H96Br3F7N20Pt and a molecular weight of 2037.68 g/mol. Its IUPAC name is 2-bromo-6-(3-methylpyrazol-1-yl)pyridine;2,6-dibromopyridine;2,6-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]-6-(3-methyl-5H-pyrazol-5-id-1-yl)-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;N-[2,6-di(propan-2-yl)phenyl]-6-(3-methylpyrazol-1-yl)-N-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridin-2-amine;5-methyl-2H-pyrrole;platinum(2+);hydrofluoride.

Molecular Properties

Compound Name2-bromo-6-(3-methylpyrazol-1-yl)pyridine;2,6-dibromopyridine;2,6-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]-6-(3-methyl-5H-pyrazol-5-id-1-yl)-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;N-[2,6-di(propan-2-yl)phenyl]-6-(3-methylpyrazol-1-yl)-N-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridin-2-amine;5-methyl-2H-pyrrole;platinum(2+);hydrofluoride
PubChem CID160991175
Molecular FormulaC91H96Br3F7N20Pt
Molecular Weight2037.68 g/mol
Exact Mass2033.52
IUPAC Name2-bromo-6-(3-methylpyrazol-1-yl)pyridine;2,6-dibromopyridine;2,6-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]-6-(3-methyl-5H-pyrazol-5-id-1-yl)-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;N-[2,6-di(propan-2-yl)phenyl]-6-(3-methylpyrazol-1-yl)-N-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridin-2-amine;5-methyl-2H-pyrrole;platinum(2+);hydrofluoride
SMILESBrc1cccc(Br)n1.CC(C)c1cccc(C(C)C)c1N.CC1=NCC=C1.Cc1c[c-]n(-c2cccc(N(c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)c3c(C(C)C)cccc3C(C)C)n2)n1.Cc1ccn(-c2cccc(Br)n2)n1.Cc1ccn(-c2cccc(N(c3cccc(-n4ccc(C(F)(F)F)n4)n3)c3c(C(C)C)cccc3C(C)C)n2)n1.F.[Pt+2]
InChIInChI=1S/C30H30F3N7.C30H28F3N7.C12H19N.C9H8BrN3.C5H3Br2N.C5H7N.FH.Pt/c2*1-19(2)22-9-6-10-23(20(3)4)29(22)40(27-13-7-11-25(34-27)38-17-15-21(5)36-38)28-14-8-12-26(35-28)39-18-16-24(37-39)30(31,32)33;1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-7-5-6-13(12-7)9-4-2-3-8(10)11-9;6-4-2-1-3-5(7)8-4;1-5-3-2-4-6-5;;/h6-20H,1-5H3;6-16,19-20H,1-5H3;5-9H,13H2,1-4H3;2-6H,1H3;1-3H;2-3H,4H2,1H3;1H;/q;-2;;;;;;+2
InChIKeyHCWTWMFZBQPOBU-UHFFFAOYSA-N
XLogP25.01
TPSA211.30 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds17
Heavy Atoms122
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002037.68
LogP ≤ 525.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-bromo-6-(3-methylpyrazol-1-yl)pyridine;2,6-dibromopyridine;2,6-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]-6-(3-methyl-5H-pyrazol-5-id-1-yl)-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;N-[2,6-di(propan-2-yl)phenyl]-6-(3-methylpyrazol-1-yl)-N-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridin-2-amine;5-methyl-2H-pyrrole;platinum(2+);hydrofluoride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(3-methylpyrazol-1-yl)pyridine;2,6-dibromopyridine;2,6-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]-6-(3-methyl-5H-pyrazol-5-id-1-yl)-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;N-[2,6-di(propan-2-yl)phenyl]-6-(3-methylpyrazol-1-yl)-N-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridin-2-amine;5-methyl-2H-pyrrole;platinum(2+);hydrofluoride?
The IUPAC name of 2-bromo-6-(3-methylpyrazol-1-yl)pyridine;2,6-dibromopyridine;2,6-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]-6-(3-methyl-5H-pyrazol-5-id-1-yl)-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;N-[2,6-di(propan-2-yl)phenyl]-6-(3-methylpyrazol-1-yl)-N-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridin-2-amine;5-methyl-2H-pyrrole;platinum(2+);hydrofluoride (CID 160991175) is 2-bromo-6-(3-methylpyrazol-1-yl)pyridine;2,6-dibromopyridine;2,6-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]-6-(3-methyl-5H-pyrazol-5-id-1-yl)-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;N-[2,6-di(propan-2-yl)phenyl]-6-(3-methylpyrazol-1-yl)-N-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridin-2-amine;5-methyl-2H-pyrrole;platinum(2+);hydrofluoride.
What is the SMILES notation for 2-bromo-6-(3-methylpyrazol-1-yl)pyridine;2,6-dibromopyridine;2,6-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]-6-(3-methyl-5H-pyrazol-5-id-1-yl)-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;N-[2,6-di(propan-2-yl)phenyl]-6-(3-methylpyrazol-1-yl)-N-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridin-2-amine;5-methyl-2H-pyrrole;platinum(2+);hydrofluoride?
The canonical SMILES for 2-bromo-6-(3-methylpyrazol-1-yl)pyridine;2,6-dibromopyridine;2,6-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]-6-(3-methyl-5H-pyrazol-5-id-1-yl)-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;N-[2,6-di(propan-2-yl)phenyl]-6-(3-methylpyrazol-1-yl)-N-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridin-2-amine;5-methyl-2H-pyrrole;platinum(2+);hydrofluoride is Brc1cccc(Br)n1.CC(C)c1cccc(C(C)C)c1N.CC1=NCC=C1.Cc1c[c-]n(-c2cccc(N(c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)c3c(C(C)C)cccc3C(C)C)n2)n1.Cc1ccn(-c2cccc(Br)n2)n1.Cc1ccn(-c2cccc(N(c3cccc(-n4ccc(C(F)(F)F)n4)n3)c3c(C(C)C)cccc3C(C)C)n2)n1.F.[Pt+2].
What is the InChIKey of 2-bromo-6-(3-methylpyrazol-1-yl)pyridine;2,6-dibromopyridine;2,6-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]-6-(3-methyl-5H-pyrazol-5-id-1-yl)-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;N-[2,6-di(propan-2-yl)phenyl]-6-(3-methylpyrazol-1-yl)-N-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridin-2-amine;5-methyl-2H-pyrrole;platinum(2+);hydrofluoride?
The InChIKey is HCWTWMFZBQPOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F3N7.C30H28F3N7.C12H19N.C9H8BrN3.C5H3Br2N.C5H7N.FH.Pt/c2*1-19(2)22-9-6-10-23(20(3)4)29(22)40(27-13-7-11-25(34-27)38-17-15-21(5)36-38)28-14-8-12-26(35-28)39-18-16-24(37-39)30(31,32)33;1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-7-5-6-13(12-7)9-4-2-3-8(10)11-9;6-4-2-1-3-5(7)8-4;1-5-3-2-4-6-5;;/h6-20H,1-5H3;6-16,19-20H,1-5H3;5-9H,13H2,1-4H3;2-6H,1H3;1-3H;2-3H,4H2,1H3;1H;/q;-2;;;;;;+2.
What are the key properties of 2-bromo-6-(3-methylpyrazol-1-yl)pyridine;2,6-dibromopyridine;2,6-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]-6-(3-methyl-5H-pyrazol-5-id-1-yl)-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;N-[2,6-di(propan-2-yl)phenyl]-6-(3-methylpyrazol-1-yl)-N-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridin-2-amine;5-methyl-2H-pyrrole;platinum(2+);hydrofluoride?
2-bromo-6-(3-methylpyrazol-1-yl)pyridine;2,6-dibromopyridine;2,6-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]-6-(3-methyl-5H-pyrazol-5-id-1-yl)-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;N-[2,6-di(propan-2-yl)phenyl]-6-(3-methylpyrazol-1-yl)-N-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridin-2-amine;5-methyl-2H-pyrrole;platinum(2+);hydrofluoride has a molecular weight of 2037.68 g/mol, XLogP of 25.01, 17 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(3-methylpyrazol-1-yl)pyridine;2,6-dibromopyridine;2,6-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]-6-(3-methyl-5H-pyrazol-5-id-1-yl)-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;N-[2,6-di(propan-2-yl)phenyl]-6-(3-methylpyrazol-1-yl)-N-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridin-2-amine;5-methyl-2H-pyrrole;platinum(2+);hydrofluoride is sourced from PubChem (CID 160991175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).