N-[3-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)phenyl]iminopyrido[1,2-a]pyrazin-3-amine

C22H14F6N4 — CID 10939264

IUPACN-[3-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)phenyl]iminopyrido[1,2-a]pyrazin-3-amine
SMILESFC(F)(F)c1cccc(/N=c2/c(Nc3cccc(C(F)(F)F)c3)ncc3ccccn23)c1
InChIInChI=1S/C22H14F6N4/c23-21(24,25)14-5-3-7-16(11-14)30-19-20(32-10-2-1-9-18(32)13-29-19)31-17-8-4-6-15(12-17)22(26,27)28/h1-13H,(H,29,30)/b31-20-
InChIKeyGKQIVAJHUQFLTE-GTWSWNCMSA-N
MW448.37 g/mol
LogP6.35
Rot. Bonds3

About N-[3-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)phenyl]iminopyrido[1,2-a]pyrazin-3-amine

N-[3-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)phenyl]iminopyrido[1,2-a]pyrazin-3-amine (PubChem CID 10939264) has the molecular formula C22H14F6N4 and a molecular weight of 448.37 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)phenyl]iminopyrido[1,2-a]pyrazin-3-amine.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)phenyl]iminopyrido[1,2-a]pyrazin-3-amine
PubChem CID10939264
Molecular FormulaC22H14F6N4
Molecular Weight448.37 g/mol
Exact Mass448.11
IUPAC NameN-[3-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)phenyl]iminopyrido[1,2-a]pyrazin-3-amine
SMILESFC(F)(F)c1cccc(/N=c2/c(Nc3cccc(C(F)(F)F)c3)ncc3ccccn23)c1
InChIInChI=1S/C22H14F6N4/c23-21(24,25)14-5-3-7-16(11-14)30-19-20(32-10-2-1-9-18(32)13-29-19)31-17-8-4-6-15(12-17)22(26,27)28/h1-13H,(H,29,30)/b31-20-
InChIKeyGKQIVAJHUQFLTE-GTWSWNCMSA-N
XLogP6.35
TPSA41.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.37
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(E)-hydroxyiminomethyl]-2-[3-(trifluoromethyl)anilino]pyrido[1,2-a]pyrimidin-4-one
CID 135514246
2-(imidazo[1,5-a]pyridine-3-carbonylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 166310393
5-amino-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 61358785
5-amino-6-[3-(trifluoromethyl)anilino]pyridine-3-carbonitrile
CID 103467380
6-N-(4-fluorophenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19148458
2-propan-2-yl-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 110434800
2-N,4-N-bis[3-(trifluoromethyl)phenyl]pyridine-2,4-diamine
CID 11696916
5-methyl-2-N-propan-2-yl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 143939193
N-[3-(trifluoromethyl)phenyl]acridin-9-amine
CID 2790705
3-[3-(trifluoromethyl)anilino]pyrazine-2-carbonitrile
CID 62685374
6-methyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,3-diamine
CID 79021968
4-N-(1H-indazol-5-yl)-2-N-[3-(trifluoromethyl)phenyl]quinazoline-2,4-diamine
CID 68702577

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)phenyl]iminopyrido[1,2-a]pyrazin-3-amine?
The IUPAC name of N-[3-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)phenyl]iminopyrido[1,2-a]pyrazin-3-amine (CID 10939264) is N-[3-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)phenyl]iminopyrido[1,2-a]pyrazin-3-amine.
What is the SMILES notation for N-[3-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)phenyl]iminopyrido[1,2-a]pyrazin-3-amine?
The canonical SMILES for N-[3-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)phenyl]iminopyrido[1,2-a]pyrazin-3-amine is FC(F)(F)c1cccc(/N=c2/c(Nc3cccc(C(F)(F)F)c3)ncc3ccccn23)c1.
What is the InChIKey of N-[3-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)phenyl]iminopyrido[1,2-a]pyrazin-3-amine?
The InChIKey is GKQIVAJHUQFLTE-GTWSWNCMSA-N. The full InChI is InChI=1S/C22H14F6N4/c23-21(24,25)14-5-3-7-16(11-14)30-19-20(32-10-2-1-9-18(32)13-29-19)31-17-8-4-6-15(12-17)22(26,27)28/h1-13H,(H,29,30)/b31-20-.
What are the key properties of N-[3-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)phenyl]iminopyrido[1,2-a]pyrazin-3-amine?
N-[3-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)phenyl]iminopyrido[1,2-a]pyrazin-3-amine has a molecular weight of 448.37 g/mol, XLogP of 6.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)phenyl]iminopyrido[1,2-a]pyrazin-3-amine is sourced from PubChem (CID 10939264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).