6-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-N-(4-tert-butylphenyl)-N-[1-[2-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]pyridin-2-amine;platinum(2+)

C34H25F9N4Pt — CID 59661194

IUPAC6-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-N-(4-tert-butylphenyl)-N-[1-[2-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]pyridin-2-amine;platinum(2+)
SMILESCc1cc(C(F)(F)F)c[c-]c1-n1ccc(N(c2ccc(C(C)(C)C)cc2)c2cccc(-c3[c-]cc(C(F)(F)F)cc3C(F)(F)F)n2)n1.[Pt+2]
InChIInChI=1S/C34H25F9N4.Pt/c1-20-18-22(32(35,36)37)11-15-28(20)46-17-16-30(45-46)47(24-12-8-21(9-13-24)31(2,3)4)29-7-5-6-27(44-29)25-14-10-23(33(38,39)40)19-26(25)34(41,42)43;/h5-13,16-19H,1-4H3;/q-2;+2
InChIKeyQDZGKEKBQWXWDP-UHFFFAOYSA-N
MW855.66 g/mol
LogP10.66
Rot. Bonds5

About 6-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-N-(4-tert-butylphenyl)-N-[1-[2-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]pyridin-2-amine;platinum(2+)

6-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-N-(4-tert-butylphenyl)-N-[1-[2-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]pyridin-2-amine;platinum(2+) (PubChem CID 59661194) has the molecular formula C34H25F9N4Pt and a molecular weight of 855.66 g/mol. Its IUPAC name is 6-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-N-(4-tert-butylphenyl)-N-[1-[2-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]pyridin-2-amine;platinum(2+).

Molecular Properties

Compound Name6-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-N-(4-tert-butylphenyl)-N-[1-[2-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]pyridin-2-amine;platinum(2+)
PubChem CID59661194
Molecular FormulaC34H25F9N4Pt
Molecular Weight855.66 g/mol
Exact Mass855.16
IUPAC Name6-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-N-(4-tert-butylphenyl)-N-[1-[2-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]pyridin-2-amine;platinum(2+)
SMILESCc1cc(C(F)(F)F)c[c-]c1-n1ccc(N(c2ccc(C(C)(C)C)cc2)c2cccc(-c3[c-]cc(C(F)(F)F)cc3C(F)(F)F)n2)n1.[Pt+2]
InChIInChI=1S/C34H25F9N4.Pt/c1-20-18-22(32(35,36)37)11-15-28(20)46-17-16-30(45-46)47(24-12-8-21(9-13-24)31(2,3)4)29-7-5-6-27(44-29)25-14-10-23(33(38,39)40)19-26(25)34(41,42)43;/h5-13,16-19H,1-4H3;/q-2;+2
InChIKeyQDZGKEKBQWXWDP-UHFFFAOYSA-N
XLogP10.66
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.66
LogP ≤ 510.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Fluorophenyl)-7-pyrrolidin-1-yl-3-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine
CID 10113400
1-[2,4-Bis(trifluoromethyl)phenyl]-6-methyl-4-(3-pyrazol-1-ylpyrazol-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridine
CID 10116555
1-[2,4-Bis(trifluoromethyl)phenyl]-6-methyl-4-(3-pyridin-2-ylpyrazol-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridine
CID 10163361
5-(2-Methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-9-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline
CID 53380786
N-(4-tert-butylphenyl)-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;platinum(2+)
CID 57622783
3-Phenyl-6-[2-[5-phenyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-yl]propan-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine
CID 57739628
N-(3,5-ditert-butylphenyl)-5-phenyl-N-[5-phenyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine
CID 57739636
2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethyl-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridin-4-amine;platinum(2+)
CID 57852073
2,6-difluoro-3-[4-phenyl-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;platinum(2+)
CID 57852371
2,6-difluoro-3-[6-[1-phenyl-1-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]ethyl]-2-pyridinyl]-4H-pyridin-4-ide;platinum(2+)
CID 57852416
6-(6-fluoro-4H-pyridin-4-id-3-yl)-4-methyl-N-phenyl-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;platinum(2+)
CID 57852526
(1S)-12,12,20-trimethyl-4-(trifluoromethyl)-5,6,21-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18(23),19,21-undecaene
CID 57913981

Frequently Asked Questions

What is the IUPAC name of 6-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-N-(4-tert-butylphenyl)-N-[1-[2-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]pyridin-2-amine;platinum(2+)?
The IUPAC name of 6-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-N-(4-tert-butylphenyl)-N-[1-[2-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]pyridin-2-amine;platinum(2+) (CID 59661194) is 6-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-N-(4-tert-butylphenyl)-N-[1-[2-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]pyridin-2-amine;platinum(2+).
What is the SMILES notation for 6-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-N-(4-tert-butylphenyl)-N-[1-[2-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]pyridin-2-amine;platinum(2+)?
The canonical SMILES for 6-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-N-(4-tert-butylphenyl)-N-[1-[2-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]pyridin-2-amine;platinum(2+) is Cc1cc(C(F)(F)F)c[c-]c1-n1ccc(N(c2ccc(C(C)(C)C)cc2)c2cccc(-c3[c-]cc(C(F)(F)F)cc3C(F)(F)F)n2)n1.[Pt+2].
What is the InChIKey of 6-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-N-(4-tert-butylphenyl)-N-[1-[2-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]pyridin-2-amine;platinum(2+)?
The InChIKey is QDZGKEKBQWXWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25F9N4.Pt/c1-20-18-22(32(35,36)37)11-15-28(20)46-17-16-30(45-46)47(24-12-8-21(9-13-24)31(2,3)4)29-7-5-6-27(44-29)25-14-10-23(33(38,39)40)19-26(25)34(41,42)43;/h5-13,16-19H,1-4H3;/q-2;+2.
What are the key properties of 6-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-N-(4-tert-butylphenyl)-N-[1-[2-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]pyridin-2-amine;platinum(2+)?
6-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-N-(4-tert-butylphenyl)-N-[1-[2-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]pyridin-2-amine;platinum(2+) has a molecular weight of 855.66 g/mol, XLogP of 10.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-N-(4-tert-butylphenyl)-N-[1-[2-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]pyridin-2-amine;platinum(2+) is sourced from PubChem (CID 59661194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).