2-azanidylethylazanide;bromoplatinum;N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide;2,2,2-trifluoroacetate

C21H23BrF3N5O3Pt-3 — CID 161418164

IUPAC2-azanidylethylazanide;bromoplatinum;N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide;2,2,2-trifluoroacetate
SMILESBr[Pt].O=C(Cc1ccncc1)NCCc1c[nH]c2ccccc12.O=C([O-])C(F)(F)F.[NH-]CC[NH-]
InChIInChI=1S/C17H17N3O.C2HF3O2.C2H6N2.BrH.Pt/c21-17(11-13-5-8-18-9-6-13)19-10-7-14-12-20-16-4-2-1-3-15(14)16;3-2(4,5)1(6)7;3-1-2-4;;/h1-6,8-9,12,20H,7,10-11H2,(H,19,21);(H,6,7);3-4H,1-2H2;1H;/q;;-2;;+1/p-2
InChIKeyPMBGQEGLMMJECG-UHFFFAOYSA-L
MW725.42 g/mol
LogP3.70
Rot. Bonds6

About 2-azanidylethylazanide;bromoplatinum;N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide;2,2,2-trifluoroacetate

2-azanidylethylazanide;bromoplatinum;N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide;2,2,2-trifluoroacetate (PubChem CID 161418164) has the molecular formula C21H23BrF3N5O3Pt-3 and a molecular weight of 725.42 g/mol. Its IUPAC name is 2-azanidylethylazanide;bromoplatinum;N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide;2,2,2-trifluoroacetate.

Molecular Properties

Compound Name2-azanidylethylazanide;bromoplatinum;N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide;2,2,2-trifluoroacetate
PubChem CID161418164
Molecular FormulaC21H23BrF3N5O3Pt-3
Molecular Weight725.42 g/mol
Exact Mass724.06
IUPAC Name2-azanidylethylazanide;bromoplatinum;N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide;2,2,2-trifluoroacetate
SMILESBr[Pt].O=C(Cc1ccncc1)NCCc1c[nH]c2ccccc12.O=C([O-])C(F)(F)F.[NH-]CC[NH-]
InChIInChI=1S/C17H17N3O.C2HF3O2.C2H6N2.BrH.Pt/c21-17(11-13-5-8-18-9-6-13)19-10-7-14-12-20-16-4-2-1-3-15(14)16;3-2(4,5)1(6)7;3-1-2-4;;/h1-6,8-9,12,20H,7,10-11H2,(H,19,21);(H,6,7);3-4H,1-2H2;1H;/q;;-2;;+1/p-2
InChIKeyPMBGQEGLMMJECG-UHFFFAOYSA-L
XLogP3.70
TPSA145.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500725.42
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 108985537
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Frequently Asked Questions

What is the IUPAC name of 2-azanidylethylazanide;bromoplatinum;N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide;2,2,2-trifluoroacetate?
The IUPAC name of 2-azanidylethylazanide;bromoplatinum;N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide;2,2,2-trifluoroacetate (CID 161418164) is 2-azanidylethylazanide;bromoplatinum;N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide;2,2,2-trifluoroacetate.
What is the SMILES notation for 2-azanidylethylazanide;bromoplatinum;N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide;2,2,2-trifluoroacetate?
The canonical SMILES for 2-azanidylethylazanide;bromoplatinum;N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide;2,2,2-trifluoroacetate is Br[Pt].O=C(Cc1ccncc1)NCCc1c[nH]c2ccccc12.O=C([O-])C(F)(F)F.[NH-]CC[NH-].
What is the InChIKey of 2-azanidylethylazanide;bromoplatinum;N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide;2,2,2-trifluoroacetate?
The InChIKey is PMBGQEGLMMJECG-UHFFFAOYSA-L. The full InChI is InChI=1S/C17H17N3O.C2HF3O2.C2H6N2.BrH.Pt/c21-17(11-13-5-8-18-9-6-13)19-10-7-14-12-20-16-4-2-1-3-15(14)16;3-2(4,5)1(6)7;3-1-2-4;;/h1-6,8-9,12,20H,7,10-11H2,(H,19,21);(H,6,7);3-4H,1-2H2;1H;/q;;-2;;+1/p-2.
What are the key properties of 2-azanidylethylazanide;bromoplatinum;N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide;2,2,2-trifluoroacetate?
2-azanidylethylazanide;bromoplatinum;N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide;2,2,2-trifluoroacetate has a molecular weight of 725.42 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azanidylethylazanide;bromoplatinum;N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide;2,2,2-trifluoroacetate is sourced from PubChem (CID 161418164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).