N-(6-but-2-en-2-yl-2-pyridinyl)-N-methyl-6-[4-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-2-amine;N-[6-[(E)-but-2-en-2-yl]-2-pyridinyl]-N-methyl-6-[4-(trifluoromethyl)-1H-pyrazol-5-yl]pyridin-2-amine;platinum(2+)

C38H34F6N10Pt — CID 157287507

IUPACN-(6-but-2-en-2-yl-2-pyridinyl)-N-methyl-6-[4-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-2-amine;N-[6-[(E)-but-2-en-2-yl]-2-pyridinyl]-N-methyl-6-[4-(trifluoromethyl)-1H-pyrazol-5-yl]pyridin-2-amine;platinum(2+)
SMILESC/C=C(\C)c1cccc(N(C)c2cccc(-c3[nH]ncc3C(F)(F)F)n2)n1.C/[C-]=C(\C)c1cccc(N(C)c2cccc(-c3[n-]ncc3C(F)(F)F)n2)n1.[Pt+2]
InChIInChI=1S/C19H18F3N5.C19H16F3N5.Pt/c2*1-4-12(2)14-7-5-9-16(24-14)27(3)17-10-6-8-15(25-17)18-13(11-23-26-18)19(20,21)22;/h4-11H,1-3H3,(H,23,26);5-11H,1-3H3;/q;-2;+2/b12-4+;;
InChIKeyNUXMPUMGCDZGHH-NOZHJXJUSA-N
MW939.83 g/mol
LogP9.58
Rot. Bonds8

About N-(6-but-2-en-2-yl-2-pyridinyl)-N-methyl-6-[4-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-2-amine;N-[6-[(E)-but-2-en-2-yl]-2-pyridinyl]-N-methyl-6-[4-(trifluoromethyl)-1H-pyrazol-5-yl]pyridin-2-amine;platinum(2+)

N-(6-but-2-en-2-yl-2-pyridinyl)-N-methyl-6-[4-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-2-amine;N-[6-[(E)-but-2-en-2-yl]-2-pyridinyl]-N-methyl-6-[4-(trifluoromethyl)-1H-pyrazol-5-yl]pyridin-2-amine;platinum(2+) (PubChem CID 157287507) has the molecular formula C38H34F6N10Pt and a molecular weight of 939.83 g/mol. Its IUPAC name is N-(6-but-2-en-2-yl-2-pyridinyl)-N-methyl-6-[4-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-2-amine;N-[6-[(E)-but-2-en-2-yl]-2-pyridinyl]-N-methyl-6-[4-(trifluoromethyl)-1H-pyrazol-5-yl]pyridin-2-amine;platinum(2+).

Molecular Properties

Compound NameN-(6-but-2-en-2-yl-2-pyridinyl)-N-methyl-6-[4-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-2-amine;N-[6-[(E)-but-2-en-2-yl]-2-pyridinyl]-N-methyl-6-[4-(trifluoromethyl)-1H-pyrazol-5-yl]pyridin-2-amine;platinum(2+)
PubChem CID157287507
Molecular FormulaC38H34F6N10Pt
Molecular Weight939.83 g/mol
Exact Mass939.25
IUPAC NameN-(6-but-2-en-2-yl-2-pyridinyl)-N-methyl-6-[4-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-2-amine;N-[6-[(E)-but-2-en-2-yl]-2-pyridinyl]-N-methyl-6-[4-(trifluoromethyl)-1H-pyrazol-5-yl]pyridin-2-amine;platinum(2+)
SMILESC/C=C(\C)c1cccc(N(C)c2cccc(-c3[nH]ncc3C(F)(F)F)n2)n1.C/[C-]=C(\C)c1cccc(N(C)c2cccc(-c3[n-]ncc3C(F)(F)F)n2)n1.[Pt+2]
InChIInChI=1S/C19H18F3N5.C19H16F3N5.Pt/c2*1-4-12(2)14-7-5-9-16(24-14)27(3)17-10-6-8-15(25-17)18-13(11-23-26-18)19(20,21)22;/h4-11H,1-3H3,(H,23,26);5-11H,1-3H3;/q;-2;+2/b12-4+;;
InChIKeyNUXMPUMGCDZGHH-NOZHJXJUSA-N
XLogP9.58
TPSA113.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500939.83
LogP ≤ 59.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-(6-but-2-en-2-yl-2-pyridinyl)-N-methyl-6-[4-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-2-amine;N-[6-[(E)-but-2-en-2-yl]-2-pyridinyl]-N-methyl-6-[4-(trifluoromethyl)-1H-pyrazol-5-yl]pyridin-2-amine;platinum(2+) with MolForge

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Related Compounds

5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 162648916
3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
CID 137039424
platinum(2+);3-pyridin-4-yl-6-[2-[5-pyridin-4-yl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine
CID 57739768
(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
(1S)-20-isocyano-12,12-dimethyl-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),18,20,22-undecaene
CID 57914047
(1S)-20-fluoro-12,12-dimethyl-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),18,20,22-undecaene
CID 57914056
(1R)-19-fluoro-12,12-dimethyl-4,20-bis(trifluoromethyl)-5,6,22-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),18,20,22-undecaene
CID 57914155
(1R)-19-fluoro-20-isocyano-12,12-dimethyl-4-(trifluoromethyl)-5,6,22-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),18,20,22-undecaene
CID 57914160
(1S)-19-fluoro-12,12-dimethyl-4,20-bis(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),18,20,22-undecaene
CID 57914168
(1S)-12,12-dimethyl-4,20-bis(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),18,20,22-undecaene
CID 57914172
platinum;2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[2-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine
CID 57935322
2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum
CID 58435387

Frequently Asked Questions

What is the IUPAC name of N-(6-but-2-en-2-yl-2-pyridinyl)-N-methyl-6-[4-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-2-amine;N-[6-[(E)-but-2-en-2-yl]-2-pyridinyl]-N-methyl-6-[4-(trifluoromethyl)-1H-pyrazol-5-yl]pyridin-2-amine;platinum(2+)?
The IUPAC name of N-(6-but-2-en-2-yl-2-pyridinyl)-N-methyl-6-[4-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-2-amine;N-[6-[(E)-but-2-en-2-yl]-2-pyridinyl]-N-methyl-6-[4-(trifluoromethyl)-1H-pyrazol-5-yl]pyridin-2-amine;platinum(2+) (CID 157287507) is N-(6-but-2-en-2-yl-2-pyridinyl)-N-methyl-6-[4-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-2-amine;N-[6-[(E)-but-2-en-2-yl]-2-pyridinyl]-N-methyl-6-[4-(trifluoromethyl)-1H-pyrazol-5-yl]pyridin-2-amine;platinum(2+).
What is the SMILES notation for N-(6-but-2-en-2-yl-2-pyridinyl)-N-methyl-6-[4-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-2-amine;N-[6-[(E)-but-2-en-2-yl]-2-pyridinyl]-N-methyl-6-[4-(trifluoromethyl)-1H-pyrazol-5-yl]pyridin-2-amine;platinum(2+)?
The canonical SMILES for N-(6-but-2-en-2-yl-2-pyridinyl)-N-methyl-6-[4-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-2-amine;N-[6-[(E)-but-2-en-2-yl]-2-pyridinyl]-N-methyl-6-[4-(trifluoromethyl)-1H-pyrazol-5-yl]pyridin-2-amine;platinum(2+) is C/C=C(\C)c1cccc(N(C)c2cccc(-c3[nH]ncc3C(F)(F)F)n2)n1.C/[C-]=C(\C)c1cccc(N(C)c2cccc(-c3[n-]ncc3C(F)(F)F)n2)n1.[Pt+2].
What is the InChIKey of N-(6-but-2-en-2-yl-2-pyridinyl)-N-methyl-6-[4-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-2-amine;N-[6-[(E)-but-2-en-2-yl]-2-pyridinyl]-N-methyl-6-[4-(trifluoromethyl)-1H-pyrazol-5-yl]pyridin-2-amine;platinum(2+)?
The InChIKey is NUXMPUMGCDZGHH-NOZHJXJUSA-N. The full InChI is InChI=1S/C19H18F3N5.C19H16F3N5.Pt/c2*1-4-12(2)14-7-5-9-16(24-14)27(3)17-10-6-8-15(25-17)18-13(11-23-26-18)19(20,21)22;/h4-11H,1-3H3,(H,23,26);5-11H,1-3H3;/q;-2;+2/b12-4+;;.
What are the key properties of N-(6-but-2-en-2-yl-2-pyridinyl)-N-methyl-6-[4-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-2-amine;N-[6-[(E)-but-2-en-2-yl]-2-pyridinyl]-N-methyl-6-[4-(trifluoromethyl)-1H-pyrazol-5-yl]pyridin-2-amine;platinum(2+)?
N-(6-but-2-en-2-yl-2-pyridinyl)-N-methyl-6-[4-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-2-amine;N-[6-[(E)-but-2-en-2-yl]-2-pyridinyl]-N-methyl-6-[4-(trifluoromethyl)-1H-pyrazol-5-yl]pyridin-2-amine;platinum(2+) has a molecular weight of 939.83 g/mol, XLogP of 9.58, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-but-2-en-2-yl-2-pyridinyl)-N-methyl-6-[4-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-2-amine;N-[6-[(E)-but-2-en-2-yl]-2-pyridinyl]-N-methyl-6-[4-(trifluoromethyl)-1H-pyrazol-5-yl]pyridin-2-amine;platinum(2+) is sourced from PubChem (CID 157287507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).