N-[1-(3-methylbenzene-6-id-1-yl)pyrazol-3-yl]-6-[3-(trifluoromethyl)benzene-6-id-1-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;platinum(2+)

C31H25F3N4Pt — CID 59661210

IUPACN-[1-(3-methylbenzene-6-id-1-yl)pyrazol-3-yl]-6-[3-(trifluoromethyl)benzene-6-id-1-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;platinum(2+)
SMILESCc1cc[c-]c(-n2ccc(N(c3cccc(-c4[c-]ccc(C(F)(F)F)c4)n3)c3c(C)cc(C)cc3C)n2)c1.[Pt+2]
InChIInChI=1S/C31H25F3N4.Pt/c1-20-8-5-11-26(18-20)37-15-14-29(36-37)38(30-22(3)16-21(2)17-23(30)4)28-13-7-12-27(35-28)24-9-6-10-25(19-24)31(32,33)34;/h5-8,10,12-19H,1-4H3;/q-2;+2
InChIKeyOORKMSVWZLEKKR-UHFFFAOYSA-N
MW705.64 g/mol
LogP8.25
Rot. Bonds5

About N-[1-(3-methylbenzene-6-id-1-yl)pyrazol-3-yl]-6-[3-(trifluoromethyl)benzene-6-id-1-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;platinum(2+)

N-[1-(3-methylbenzene-6-id-1-yl)pyrazol-3-yl]-6-[3-(trifluoromethyl)benzene-6-id-1-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;platinum(2+) (PubChem CID 59661210) has the molecular formula C31H25F3N4Pt and a molecular weight of 705.64 g/mol. Its IUPAC name is N-[1-(3-methylbenzene-6-id-1-yl)pyrazol-3-yl]-6-[3-(trifluoromethyl)benzene-6-id-1-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;platinum(2+).

Molecular Properties

Compound NameN-[1-(3-methylbenzene-6-id-1-yl)pyrazol-3-yl]-6-[3-(trifluoromethyl)benzene-6-id-1-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;platinum(2+)
PubChem CID59661210
Molecular FormulaC31H25F3N4Pt
Molecular Weight705.64 g/mol
Exact Mass705.17
IUPAC NameN-[1-(3-methylbenzene-6-id-1-yl)pyrazol-3-yl]-6-[3-(trifluoromethyl)benzene-6-id-1-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;platinum(2+)
SMILESCc1cc[c-]c(-n2ccc(N(c3cccc(-c4[c-]ccc(C(F)(F)F)c4)n3)c3c(C)cc(C)cc3C)n2)c1.[Pt+2]
InChIInChI=1S/C31H25F3N4.Pt/c1-20-8-5-11-26(18-20)37-15-14-29(36-37)38(30-22(3)16-21(2)17-23(30)4)28-13-7-12-27(35-28)24-9-6-10-25(19-24)31(32,33)34;/h5-8,10,12-19H,1-4H3;/q-2;+2
InChIKeyOORKMSVWZLEKKR-UHFFFAOYSA-N
XLogP8.25
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.64
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1-(3-methylbenzene-6-id-1-yl)pyrazol-3-yl]-6-[3-(trifluoromethyl)benzene-6-id-1-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;platinum(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(Difluoro(6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo(4,3-b)pyridazin-3-yl)methyl)quinoline
CID 46911863
PF-04254644
CID 24871823
1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 24905152
4-[6-[4-(4-Methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 60182364
(R)-2-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 11538251
(R)-2-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 11581252
(R)-2-(5-methyl-1-(pyridin-2-yl)-1H-pyrazol-4-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 11603648
6-[Difluoro-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline
CID 57338725
6-[Difluoro-(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline
CID 57654476
VU0080241
CID 3260619
(R)-N,N-dimethyl-6-(5-methyl-4-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)-1H-pyrazol-1-yl)pyridazin-3-amine
CID 46890283
6-[Difluoro-[6-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline
CID 127045833

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylbenzene-6-id-1-yl)pyrazol-3-yl]-6-[3-(trifluoromethyl)benzene-6-id-1-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;platinum(2+)?
The IUPAC name of N-[1-(3-methylbenzene-6-id-1-yl)pyrazol-3-yl]-6-[3-(trifluoromethyl)benzene-6-id-1-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;platinum(2+) (CID 59661210) is N-[1-(3-methylbenzene-6-id-1-yl)pyrazol-3-yl]-6-[3-(trifluoromethyl)benzene-6-id-1-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;platinum(2+).
What is the SMILES notation for N-[1-(3-methylbenzene-6-id-1-yl)pyrazol-3-yl]-6-[3-(trifluoromethyl)benzene-6-id-1-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;platinum(2+)?
The canonical SMILES for N-[1-(3-methylbenzene-6-id-1-yl)pyrazol-3-yl]-6-[3-(trifluoromethyl)benzene-6-id-1-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;platinum(2+) is Cc1cc[c-]c(-n2ccc(N(c3cccc(-c4[c-]ccc(C(F)(F)F)c4)n3)c3c(C)cc(C)cc3C)n2)c1.[Pt+2].
What is the InChIKey of N-[1-(3-methylbenzene-6-id-1-yl)pyrazol-3-yl]-6-[3-(trifluoromethyl)benzene-6-id-1-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;platinum(2+)?
The InChIKey is OORKMSVWZLEKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25F3N4.Pt/c1-20-8-5-11-26(18-20)37-15-14-29(36-37)38(30-22(3)16-21(2)17-23(30)4)28-13-7-12-27(35-28)24-9-6-10-25(19-24)31(32,33)34;/h5-8,10,12-19H,1-4H3;/q-2;+2.
What are the key properties of N-[1-(3-methylbenzene-6-id-1-yl)pyrazol-3-yl]-6-[3-(trifluoromethyl)benzene-6-id-1-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;platinum(2+)?
N-[1-(3-methylbenzene-6-id-1-yl)pyrazol-3-yl]-6-[3-(trifluoromethyl)benzene-6-id-1-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;platinum(2+) has a molecular weight of 705.64 g/mol, XLogP of 8.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylbenzene-6-id-1-yl)pyrazol-3-yl]-6-[3-(trifluoromethyl)benzene-6-id-1-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;platinum(2+) is sourced from PubChem (CID 59661210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).