4-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[2,6-di(propan-2-yl)phenyl]-2-(5-methylpyrazol-2-id-3-yl)pyridine;bis(5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)-4H-pyrimidin-4-ide);bis(2-methyl-5-pyridin-2-yl-4H-pyrimidin-4-ide);tetrakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

C115H104F15N25Pt4 — CID 159138962

IUPAC4-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[2,6-di(propan-2-yl)phenyl]-2-(5-methylpyrazol-2-id-3-yl)pyridine;bis(5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)-4H-pyrimidin-4-ide);bis(2-methyl-5-pyridin-2-yl-4H-pyrimidin-4-ide);tetrakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCC(C)(C)c1ccnc(-c2cc(C(F)(F)F)n[n-]2)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(-c2[c-]nc(C(F)(F)F)nc2)c1.Cc1cc(-c2cc(-c3c(C(C)C)cccc3C(C)C)ccn2)[n-]n1.Cc1n[c-]c(-c2ccccn2)cn1.Cc1n[c-]c(-c2ccccn2)cn1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2cnccn2)[n-]n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/2C22H21F3N3.C21H24N3.C13H13F3N3.2C10H8N3.C9H5F3N3.C8H4F3N4.4Pt/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)17-7-6-8-18(14(3)4)21(17)16-9-10-22-19(12-16)20-11-15(5)23-24-20;1-12(2,3)8-4-5-17-9(6-8)10-7-11(19-18-10)13(14,15)16;2*1-8-12-6-9(7-13-8)10-4-2-3-5-11-10;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;9-8(10,11)7-3-5(14-15-7)6-4-12-1-2-13-6;;;;/h2*5-11,13-14H,1-4H3;6-14H,1-5H3;4-7H,1-3H3;2*2-6H,1H3;1-5H;1-4H;;;;/q8*-1;4*+2
InChIKeyBOAQRJCZIZYJSI-UHFFFAOYSA-N
MW2901.55 g/mol
LogP28.20
Rot. Bonds17

About 4-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[2,6-di(propan-2-yl)phenyl]-2-(5-methylpyrazol-2-id-3-yl)pyridine;bis(5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)-4H-pyrimidin-4-ide);bis(2-methyl-5-pyridin-2-yl-4H-pyrimidin-4-ide);tetrakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

4-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[2,6-di(propan-2-yl)phenyl]-2-(5-methylpyrazol-2-id-3-yl)pyridine;bis(5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)-4H-pyrimidin-4-ide);bis(2-methyl-5-pyridin-2-yl-4H-pyrimidin-4-ide);tetrakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 159138962) has the molecular formula C115H104F15N25Pt4 and a molecular weight of 2901.55 g/mol. Its IUPAC name is 4-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[2,6-di(propan-2-yl)phenyl]-2-(5-methylpyrazol-2-id-3-yl)pyridine;bis(5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)-4H-pyrimidin-4-ide);bis(2-methyl-5-pyridin-2-yl-4H-pyrimidin-4-ide);tetrakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

Compound Name4-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[2,6-di(propan-2-yl)phenyl]-2-(5-methylpyrazol-2-id-3-yl)pyridine;bis(5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)-4H-pyrimidin-4-ide);bis(2-methyl-5-pyridin-2-yl-4H-pyrimidin-4-ide);tetrakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
PubChem CID159138962
Molecular FormulaC115H104F15N25Pt4
Molecular Weight2901.55 g/mol
Exact Mass2899.73
IUPAC Name4-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[2,6-di(propan-2-yl)phenyl]-2-(5-methylpyrazol-2-id-3-yl)pyridine;bis(5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)-4H-pyrimidin-4-ide);bis(2-methyl-5-pyridin-2-yl-4H-pyrimidin-4-ide);tetrakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCC(C)(C)c1ccnc(-c2cc(C(F)(F)F)n[n-]2)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(-c2[c-]nc(C(F)(F)F)nc2)c1.Cc1cc(-c2cc(-c3c(C(C)C)cccc3C(C)C)ccn2)[n-]n1.Cc1n[c-]c(-c2ccccn2)cn1.Cc1n[c-]c(-c2ccccn2)cn1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2cnccn2)[n-]n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/2C22H21F3N3.C21H24N3.C13H13F3N3.2C10H8N3.C9H5F3N3.C8H4F3N4.4Pt/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)17-7-6-8-18(14(3)4)21(17)16-9-10-22-19(12-16)20-11-15(5)23-24-20;1-12(2,3)8-4-5-17-9(6-8)10-7-11(19-18-10)13(14,15)16;2*1-8-12-6-9(7-13-8)10-4-2-3-5-11-10;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;9-8(10,11)7-3-5(14-15-7)6-4-12-1-2-13-6;;;;/h2*5-11,13-14H,1-4H3;6-14H,1-5H3;4-7H,1-3H3;2*2-6H,1H3;1-5H;1-4H;;;;/q8*-1;4*+2
InChIKeyBOAQRJCZIZYJSI-UHFFFAOYSA-N
XLogP28.20
TPSA327.09 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds17
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002901.55
LogP ≤ 528.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[2,6-di(propan-2-yl)phenyl]-2-(5-methylpyrazol-2-id-3-yl)pyridine;bis(5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)-4H-pyrimidin-4-ide);bis(2-methyl-5-pyridin-2-yl-4H-pyrimidin-4-ide);tetrakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine with MolForge

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Related Compounds

4-[2,6-Di(propan-2-yl)phenyl]-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline;4-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)pyrazol-1-id-3-yl]isoquinoline;platinum(2+)
CID 139165520
Gross107 (Sudhakar)
CID 139174614
Bis(5-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);platinum(2+)
CID 168338735
Bis(dichloromethane);platinum(2+);3-(trifluoromethyl)-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide;4-(2,4,6-trimethylphenyl)-2-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine
CID 168338993
CID 58510484
CID 58510484
2-[2-Methyl-4-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]pyridine;2-pyridin-2-ylpyridine;ruthenium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 58510488
Bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));bis(iridium);bis(1-phenylisoquinoline);bis(2-phenylpyrazine)
CID 59010556
2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;iridium(3+);bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 59729586
2-(2,4-Difluorobenzene-6-id-1-yl)-4-methylpyridine;iridium(3+);bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 59729592
2-(2,4-Difluorobenzene-6-id-1-yl)-4-methylpyridine;iridium(3+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 59729601
N,N-bis(4-pentylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;chlororuthenium(1+);4-ethyl-2,6-bis(4-ethyl-2-pyridinyl)pyridine
CID 140701036
Bis(4-methyl-5-(2-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);2-pyridin-2-ylpyridine
CID 140775454

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[2,6-di(propan-2-yl)phenyl]-2-(5-methylpyrazol-2-id-3-yl)pyridine;bis(5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)-4H-pyrimidin-4-ide);bis(2-methyl-5-pyridin-2-yl-4H-pyrimidin-4-ide);tetrakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The IUPAC name of 4-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[2,6-di(propan-2-yl)phenyl]-2-(5-methylpyrazol-2-id-3-yl)pyridine;bis(5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)-4H-pyrimidin-4-ide);bis(2-methyl-5-pyridin-2-yl-4H-pyrimidin-4-ide);tetrakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 159138962) is 4-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[2,6-di(propan-2-yl)phenyl]-2-(5-methylpyrazol-2-id-3-yl)pyridine;bis(5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)-4H-pyrimidin-4-ide);bis(2-methyl-5-pyridin-2-yl-4H-pyrimidin-4-ide);tetrakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.
What is the SMILES notation for 4-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[2,6-di(propan-2-yl)phenyl]-2-(5-methylpyrazol-2-id-3-yl)pyridine;bis(5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)-4H-pyrimidin-4-ide);bis(2-methyl-5-pyridin-2-yl-4H-pyrimidin-4-ide);tetrakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The canonical SMILES for 4-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[2,6-di(propan-2-yl)phenyl]-2-(5-methylpyrazol-2-id-3-yl)pyridine;bis(5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)-4H-pyrimidin-4-ide);bis(2-methyl-5-pyridin-2-yl-4H-pyrimidin-4-ide);tetrakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is CC(C)(C)c1ccnc(-c2cc(C(F)(F)F)n[n-]2)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(-c2[c-]nc(C(F)(F)F)nc2)c1.Cc1cc(-c2cc(-c3c(C(C)C)cccc3C(C)C)ccn2)[n-]n1.Cc1n[c-]c(-c2ccccn2)cn1.Cc1n[c-]c(-c2ccccn2)cn1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2cnccn2)[n-]n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of 4-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[2,6-di(propan-2-yl)phenyl]-2-(5-methylpyrazol-2-id-3-yl)pyridine;bis(5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)-4H-pyrimidin-4-ide);bis(2-methyl-5-pyridin-2-yl-4H-pyrimidin-4-ide);tetrakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The InChIKey is BOAQRJCZIZYJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H21F3N3.C21H24N3.C13H13F3N3.2C10H8N3.C9H5F3N3.C8H4F3N4.4Pt/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)17-7-6-8-18(14(3)4)21(17)16-9-10-22-19(12-16)20-11-15(5)23-24-20;1-12(2,3)8-4-5-17-9(6-8)10-7-11(19-18-10)13(14,15)16;2*1-8-12-6-9(7-13-8)10-4-2-3-5-11-10;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;9-8(10,11)7-3-5(14-15-7)6-4-12-1-2-13-6;;;;/h2*5-11,13-14H,1-4H3;6-14H,1-5H3;4-7H,1-3H3;2*2-6H,1H3;1-5H;1-4H;;;;/q8*-1;4*+2.
What are the key properties of 4-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[2,6-di(propan-2-yl)phenyl]-2-(5-methylpyrazol-2-id-3-yl)pyridine;bis(5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)-4H-pyrimidin-4-ide);bis(2-methyl-5-pyridin-2-yl-4H-pyrimidin-4-ide);tetrakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
4-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[2,6-di(propan-2-yl)phenyl]-2-(5-methylpyrazol-2-id-3-yl)pyridine;bis(5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)-4H-pyrimidin-4-ide);bis(2-methyl-5-pyridin-2-yl-4H-pyrimidin-4-ide);tetrakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 2901.55 g/mol, XLogP of 28.20, 17 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[2,6-di(propan-2-yl)phenyl]-2-(5-methylpyrazol-2-id-3-yl)pyridine;bis(5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-(trifluoromethyl)-4H-pyrimidin-4-ide);bis(2-methyl-5-pyridin-2-yl-4H-pyrimidin-4-ide);tetrakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 159138962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).