bis(5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)-4H-pyrimidin-4-ide);5-[5-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)-4H-pyrimidin-4-ide;4-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(platinum(2+));1-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]ethanone

C119H112F18N18OPt3 — CID 157273435

IUPACbis(5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)-4H-pyrimidin-4-ide);5-[5-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)-4H-pyrimidin-4-ide;4-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(platinum(2+));1-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]ethanone
SMILESCC(=O)c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CC(C)c1cccc(C(C)C)c1-c1ccc(-c2[c-]nc(C(F)(F)F)nc2)nc1.CC(C)c1cccc(C(C)C)c1-c1ccc(-c2cc(C(F)(F)F)n[n-]2)nc1.CC(C)c1cccc(C(C)C)c1-c1ccnc(-c2[c-]nc(C(F)(F)F)nc2)c1.CC(C)c1cccc(C(C)C)c1-c1ccnc(-c2[c-]nc(C(F)(F)F)nc2)c1.CC(C)c1cccc(C(C)C)c1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/3C22H21F3N3.2C21H21F3N3.C11H7F3N3O.3Pt/c2*1-13(2)17-6-5-7-18(14(3)4)20(17)15-8-9-26-19(10-15)16-11-27-21(28-12-16)22(23,24)25;1-13(2)17-6-5-7-18(14(3)4)20(17)15-8-9-19(26-10-15)16-11-27-21(28-12-16)22(23,24)25;1-12(2)15-6-5-7-16(13(3)4)20(15)14-8-9-17(25-11-14)18-10-19(27-26-18)21(22,23)24;1-12(2)15-6-5-7-16(13(3)4)20(15)14-8-9-25-17(10-14)18-11-19(27-26-18)21(22,23)24;1-6(18)7-2-3-15-8(4-7)9-5-10(17-16-9)11(12,13)14;;;/h3*5-11,13-14H,1-4H3;2*5-13H,1-4H3;2-5H,1H3;;;/q6*-1;3*+2
InChIKeyWUVYKFQFGNCUPR-UHFFFAOYSA-N
MW2737.53 g/mol
LogP33.20
Rot. Bonds22

About bis(5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)-4H-pyrimidin-4-ide);5-[5-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)-4H-pyrimidin-4-ide;4-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(platinum(2+));1-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]ethanone

bis(5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)-4H-pyrimidin-4-ide);5-[5-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)-4H-pyrimidin-4-ide;4-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(platinum(2+));1-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]ethanone (PubChem CID 157273435) has the molecular formula C119H112F18N18OPt3 and a molecular weight of 2737.53 g/mol. Its IUPAC name is bis(5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)-4H-pyrimidin-4-ide);5-[5-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)-4H-pyrimidin-4-ide;4-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(platinum(2+));1-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]ethanone.

Molecular Properties

Compound Namebis(5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)-4H-pyrimidin-4-ide);5-[5-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)-4H-pyrimidin-4-ide;4-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(platinum(2+));1-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]ethanone
PubChem CID157273435
Molecular FormulaC119H112F18N18OPt3
Molecular Weight2737.53 g/mol
Exact Mass2735.79
IUPAC Namebis(5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)-4H-pyrimidin-4-ide);5-[5-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)-4H-pyrimidin-4-ide;4-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(platinum(2+));1-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]ethanone
SMILESCC(=O)c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CC(C)c1cccc(C(C)C)c1-c1ccc(-c2[c-]nc(C(F)(F)F)nc2)nc1.CC(C)c1cccc(C(C)C)c1-c1ccc(-c2cc(C(F)(F)F)n[n-]2)nc1.CC(C)c1cccc(C(C)C)c1-c1ccnc(-c2[c-]nc(C(F)(F)F)nc2)c1.CC(C)c1cccc(C(C)C)c1-c1ccnc(-c2[c-]nc(C(F)(F)F)nc2)c1.CC(C)c1cccc(C(C)C)c1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/3C22H21F3N3.2C21H21F3N3.C11H7F3N3O.3Pt/c2*1-13(2)17-6-5-7-18(14(3)4)20(17)15-8-9-26-19(10-15)16-11-27-21(28-12-16)22(23,24)25;1-13(2)17-6-5-7-18(14(3)4)20(17)15-8-9-19(26-10-15)16-11-27-21(28-12-16)22(23,24)25;1-12(2)15-6-5-7-16(13(3)4)20(15)14-8-9-17(25-11-14)18-10-19(27-26-18)21(22,23)24;1-12(2)15-6-5-7-16(13(3)4)20(15)14-8-9-25-17(10-14)18-11-19(27-26-18)21(22,23)24;1-6(18)7-2-3-15-8(4-7)9-5-10(17-16-9)11(12,13)14;;;/h3*5-11,13-14H,1-4H3;2*5-13H,1-4H3;2-5H,1H3;;;/q6*-1;3*+2
InChIKeyWUVYKFQFGNCUPR-UHFFFAOYSA-N
XLogP33.20
TPSA252.72 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds22
Heavy Atoms159
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002737.53
LogP ≤ 533.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze bis(5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)-4H-pyrimidin-4-ide);5-[5-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)-4H-pyrimidin-4-ide;4-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(platinum(2+));1-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)-4H-pyrimidin-4-ide);5-[5-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)-4H-pyrimidin-4-ide;4-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(platinum(2+));1-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]ethanone?
The IUPAC name of bis(5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)-4H-pyrimidin-4-ide);5-[5-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)-4H-pyrimidin-4-ide;4-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(platinum(2+));1-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]ethanone (CID 157273435) is bis(5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)-4H-pyrimidin-4-ide);5-[5-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)-4H-pyrimidin-4-ide;4-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(platinum(2+));1-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]ethanone.
What is the SMILES notation for bis(5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)-4H-pyrimidin-4-ide);5-[5-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)-4H-pyrimidin-4-ide;4-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(platinum(2+));1-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]ethanone?
The canonical SMILES for bis(5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)-4H-pyrimidin-4-ide);5-[5-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)-4H-pyrimidin-4-ide;4-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(platinum(2+));1-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]ethanone is CC(=O)c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CC(C)c1cccc(C(C)C)c1-c1ccc(-c2[c-]nc(C(F)(F)F)nc2)nc1.CC(C)c1cccc(C(C)C)c1-c1ccc(-c2cc(C(F)(F)F)n[n-]2)nc1.CC(C)c1cccc(C(C)C)c1-c1ccnc(-c2[c-]nc(C(F)(F)F)nc2)c1.CC(C)c1cccc(C(C)C)c1-c1ccnc(-c2[c-]nc(C(F)(F)F)nc2)c1.CC(C)c1cccc(C(C)C)c1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of bis(5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)-4H-pyrimidin-4-ide);5-[5-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)-4H-pyrimidin-4-ide;4-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(platinum(2+));1-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]ethanone?
The InChIKey is WUVYKFQFGNCUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C22H21F3N3.2C21H21F3N3.C11H7F3N3O.3Pt/c2*1-13(2)17-6-5-7-18(14(3)4)20(17)15-8-9-26-19(10-15)16-11-27-21(28-12-16)22(23,24)25;1-13(2)17-6-5-7-18(14(3)4)20(17)15-8-9-19(26-10-15)16-11-27-21(28-12-16)22(23,24)25;1-12(2)15-6-5-7-16(13(3)4)20(15)14-8-9-17(25-11-14)18-10-19(27-26-18)21(22,23)24;1-12(2)15-6-5-7-16(13(3)4)20(15)14-8-9-25-17(10-14)18-11-19(27-26-18)21(22,23)24;1-6(18)7-2-3-15-8(4-7)9-5-10(17-16-9)11(12,13)14;;;/h3*5-11,13-14H,1-4H3;2*5-13H,1-4H3;2-5H,1H3;;;/q6*-1;3*+2.
What are the key properties of bis(5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)-4H-pyrimidin-4-ide);5-[5-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)-4H-pyrimidin-4-ide;4-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(platinum(2+));1-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]ethanone?
bis(5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)-4H-pyrimidin-4-ide);5-[5-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)-4H-pyrimidin-4-ide;4-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(platinum(2+));1-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]ethanone has a molecular weight of 2737.53 g/mol, XLogP of 33.20, 22 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)-4H-pyrimidin-4-ide);5-[5-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)-4H-pyrimidin-4-ide;4-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(platinum(2+));1-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]ethanone is sourced from PubChem (CID 157273435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).