[4-[3-phenyl-6-(1H-pyrazol-5-yl)pyrido[2,3-b]pyrazin-2-yl]phenyl]methylazanium;2,2,2-trifluoroacetate

C25H19F3N6O2 — CID 87232469

IUPAC[4-[3-phenyl-6-(1H-pyrazol-5-yl)pyrido[2,3-b]pyrazin-2-yl]phenyl]methylazanium;2,2,2-trifluoroacetate
SMILESO=C([O-])C(F)(F)F.[NH3+]Cc1ccc(-c2nc3ccc(-c4ccn[nH]4)nc3nc2-c2ccccc2)cc1
InChIInChI=1S/C23H18N6.C2HF3O2/c24-14-15-6-8-17(9-7-15)21-22(16-4-2-1-3-5-16)28-23-20(26-21)11-10-18(27-23)19-12-13-25-29-19;3-2(4,5)1(6)7/h1-13H,14,24H2,(H,25,29);(H,6,7)
InChIKeyFGKHOXPOWRORQB-UHFFFAOYSA-N
MW492.46 g/mol
LogP2.79
Rot. Bonds4

About [4-[3-phenyl-6-(1H-pyrazol-5-yl)pyrido[2,3-b]pyrazin-2-yl]phenyl]methylazanium;2,2,2-trifluoroacetate

[4-[3-phenyl-6-(1H-pyrazol-5-yl)pyrido[2,3-b]pyrazin-2-yl]phenyl]methylazanium;2,2,2-trifluoroacetate (PubChem CID 87232469) has the molecular formula C25H19F3N6O2 and a molecular weight of 492.46 g/mol. Its IUPAC name is [4-[3-phenyl-6-(1H-pyrazol-5-yl)pyrido[2,3-b]pyrazin-2-yl]phenyl]methylazanium;2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[4-[3-phenyl-6-(1H-pyrazol-5-yl)pyrido[2,3-b]pyrazin-2-yl]phenyl]methylazanium;2,2,2-trifluoroacetate
PubChem CID87232469
Molecular FormulaC25H19F3N6O2
Molecular Weight492.46 g/mol
Exact Mass492.15
IUPAC Name[4-[3-phenyl-6-(1H-pyrazol-5-yl)pyrido[2,3-b]pyrazin-2-yl]phenyl]methylazanium;2,2,2-trifluoroacetate
SMILESO=C([O-])C(F)(F)F.[NH3+]Cc1ccc(-c2nc3ccc(-c4ccn[nH]4)nc3nc2-c2ccccc2)cc1
InChIInChI=1S/C23H18N6.C2HF3O2/c24-14-15-6-8-17(9-7-15)21-22(16-4-2-1-3-5-16)28-23-20(26-21)11-10-18(27-23)19-12-13-25-29-19;3-2(4,5)1(6)7/h1-13H,14,24H2,(H,25,29);(H,6,7)
InChIKeyFGKHOXPOWRORQB-UHFFFAOYSA-N
XLogP2.79
TPSA135.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.46
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[3-phenyl-5-(3-pyrazin-4-ium-2-yl-1H-1,2,4-triazol-5-yl)-1,6-naphthyridin-2-yl]phenyl]methylazanium;bis(2,2,2-trifluoroacetate)
CID 87232423
[4-[3-phenyl-5-(3-pyrazin-4-ium-2-yl-1H-1,2,4-triazol-5-yl)-1,6-naphthyridin-2-yl]phenyl]methylazanium;2,2,2-trifluoroacetate
CID 162327880
acetohydrazide;tert-butyl N-[[4-(6-isocyano-2-phenylpyrido[2,3-b]pyrazin-3-yl)phenyl]methyl]carbamate;tert-butyl N-[[4-(6-isocyano-3-phenylpyrido[2,3-b]pyrazin-2-yl)phenyl]methyl]carbamate;[4-[6-(5-methyl-4H-pyrazol-3-yl)-2-phenylpyrido[2,3-b]pyrazin-3-yl]phenyl]methylazanium;[4-[6-(5-methyl-4H-pyrazol-3-yl)-3-phenylpyrido[2,3-b]pyrazin-2-yl]phenyl]methylazanium;bis(2,2,2-trifluoroacetate)
CID 160871678
[4-[3-phenyl-5-(4-phenylmethoxyphenyl)-1,6-naphthyridin-2-yl]phenyl]methylazanium;2,2,2-trifluoroacetate
CID 87232590
[4-[5-(2-acetamidoethylcarbamoyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium;2,2,2-trifluoroacetate
CID 88959334
[4-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylpyrido[2,3-b]pyrazin-2-yl]phenyl]methanamine
CID 67001793
[4-[8-(4-nitrophenyl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium;2,2,2-trifluoroacetate
CID 87232465
6-(5-methyl-1H-1,2,4-triazol-3-yl)-2,3-diphenylpyrido[2,3-b]pyrazine
CID 173110678
[4-[5-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium;2,2,2-trifluoroacetate
CID 88959305
[4-[6-phenyl-2-(4-pyrrolidin-1-ium-1-ylpiperidin-1-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methylazanium;bis(2,2,2-trifluoroacetate)
CID 87232478
1-phenyl-N-[[4-(3-phenylquinoxalin-2-yl)phenyl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 11757924
4-bromo-N-[[4-(3-phenylquinoxalin-2-yl)phenyl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 10461859

Frequently Asked Questions

What is the IUPAC name of [4-[3-phenyl-6-(1H-pyrazol-5-yl)pyrido[2,3-b]pyrazin-2-yl]phenyl]methylazanium;2,2,2-trifluoroacetate?
The IUPAC name of [4-[3-phenyl-6-(1H-pyrazol-5-yl)pyrido[2,3-b]pyrazin-2-yl]phenyl]methylazanium;2,2,2-trifluoroacetate (CID 87232469) is [4-[3-phenyl-6-(1H-pyrazol-5-yl)pyrido[2,3-b]pyrazin-2-yl]phenyl]methylazanium;2,2,2-trifluoroacetate.
What is the SMILES notation for [4-[3-phenyl-6-(1H-pyrazol-5-yl)pyrido[2,3-b]pyrazin-2-yl]phenyl]methylazanium;2,2,2-trifluoroacetate?
The canonical SMILES for [4-[3-phenyl-6-(1H-pyrazol-5-yl)pyrido[2,3-b]pyrazin-2-yl]phenyl]methylazanium;2,2,2-trifluoroacetate is O=C([O-])C(F)(F)F.[NH3+]Cc1ccc(-c2nc3ccc(-c4ccn[nH]4)nc3nc2-c2ccccc2)cc1.
What is the InChIKey of [4-[3-phenyl-6-(1H-pyrazol-5-yl)pyrido[2,3-b]pyrazin-2-yl]phenyl]methylazanium;2,2,2-trifluoroacetate?
The InChIKey is FGKHOXPOWRORQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6.C2HF3O2/c24-14-15-6-8-17(9-7-15)21-22(16-4-2-1-3-5-16)28-23-20(26-21)11-10-18(27-23)19-12-13-25-29-19;3-2(4,5)1(6)7/h1-13H,14,24H2,(H,25,29);(H,6,7).
What are the key properties of [4-[3-phenyl-6-(1H-pyrazol-5-yl)pyrido[2,3-b]pyrazin-2-yl]phenyl]methylazanium;2,2,2-trifluoroacetate?
[4-[3-phenyl-6-(1H-pyrazol-5-yl)pyrido[2,3-b]pyrazin-2-yl]phenyl]methylazanium;2,2,2-trifluoroacetate has a molecular weight of 492.46 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-phenyl-6-(1H-pyrazol-5-yl)pyrido[2,3-b]pyrazin-2-yl]phenyl]methylazanium;2,2,2-trifluoroacetate is sourced from PubChem (CID 87232469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).