5-N,6-N-bis(2-fluorophenyl)-3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyrazine-5,6-diamine

C19H13F5N6 — CID 142482638

IUPAC5-N,6-N-bis(2-fluorophenyl)-3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyrazine-5,6-diamine
SMILESCn1c(C(F)(F)F)nc2nc(Nc3ccccc3F)c(Nc3ccccc3F)nc21
InChIInChI=1S/C19H13F5N6/c1-30-17-16(29-18(30)19(22,23)24)27-14(25-12-8-4-2-6-10(12)20)15(28-17)26-13-9-5-3-7-11(13)21/h2-9H,1H3,(H,25,27)(H,26,28)
InChIKeyNTJZYDXMVABYOS-UHFFFAOYSA-N
MW420.35 g/mol
LogP5.15
Rot. Bonds4

About 5-N,6-N-bis(2-fluorophenyl)-3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyrazine-5,6-diamine

5-N,6-N-bis(2-fluorophenyl)-3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyrazine-5,6-diamine (PubChem CID 142482638) has the molecular formula C19H13F5N6 and a molecular weight of 420.35 g/mol. Its IUPAC name is 5-N,6-N-bis(2-fluorophenyl)-3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name5-N,6-N-bis(2-fluorophenyl)-3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyrazine-5,6-diamine
PubChem CID142482638
Molecular FormulaC19H13F5N6
Molecular Weight420.35 g/mol
Exact Mass420.11
IUPAC Name5-N,6-N-bis(2-fluorophenyl)-3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyrazine-5,6-diamine
SMILESCn1c(C(F)(F)F)nc2nc(Nc3ccccc3F)c(Nc3ccccc3F)nc21
InChIInChI=1S/C19H13F5N6/c1-30-17-16(29-18(30)19(22,23)24)27-14(25-12-8-4-2-6-10(12)20)15(28-17)26-13-9-5-3-7-11(13)21/h2-9H,1H3,(H,25,27)(H,26,28)
InChIKeyNTJZYDXMVABYOS-UHFFFAOYSA-N
XLogP5.15
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.35
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-(2-fluorophenyl)-3-methyl-5-N-phenyl-2-(trifluoromethyl)imidazo[4,5-b]pyrazine-5,6-diamine
CID 135387951
6-N-(2-fluorophenyl)-5-N-(3-fluorophenyl)-3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyrazine-5,6-diamine
CID 135387744
3-methyl-2-(trifluoromethyl)-5-N,6-N-bis[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyrazine-5,6-diamine
CID 142482631
3-methyl-5-N,6-N-bis[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)imidazo[4,5-b]pyrazine-5,6-diamine
CID 142482647
5-N-(2-fluorophenyl)-6-N-(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 135387146
5-N-(2,5-dimethoxyphenyl)-6-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 2869541
4-N-(2-fluorophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80761030
5-N-(2-fluorophenyl)-6-N-(3-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 142482661
2-(2-fluoroanilino)-9-methyl-3-(nitrosomethyl)pyrido[1,2-a]pyrimidin-4-one
CID 91897489
5-N-(2-fluorophenyl)-6-N-(3-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 142482684
N-(2-fluorophenyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
CID 159464829
N-(2-fluorophenyl)-2,6-dimethylpyrimidin-4-amine
CID 16876812

Frequently Asked Questions

What is the IUPAC name of 5-N,6-N-bis(2-fluorophenyl)-3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyrazine-5,6-diamine?
The IUPAC name of 5-N,6-N-bis(2-fluorophenyl)-3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyrazine-5,6-diamine (CID 142482638) is 5-N,6-N-bis(2-fluorophenyl)-3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyrazine-5,6-diamine.
What is the SMILES notation for 5-N,6-N-bis(2-fluorophenyl)-3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyrazine-5,6-diamine?
The canonical SMILES for 5-N,6-N-bis(2-fluorophenyl)-3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyrazine-5,6-diamine is Cn1c(C(F)(F)F)nc2nc(Nc3ccccc3F)c(Nc3ccccc3F)nc21.
What is the InChIKey of 5-N,6-N-bis(2-fluorophenyl)-3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyrazine-5,6-diamine?
The InChIKey is NTJZYDXMVABYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F5N6/c1-30-17-16(29-18(30)19(22,23)24)27-14(25-12-8-4-2-6-10(12)20)15(28-17)26-13-9-5-3-7-11(13)21/h2-9H,1H3,(H,25,27)(H,26,28).
What are the key properties of 5-N,6-N-bis(2-fluorophenyl)-3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyrazine-5,6-diamine?
5-N,6-N-bis(2-fluorophenyl)-3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyrazine-5,6-diamine has a molecular weight of 420.35 g/mol, XLogP of 5.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,6-N-bis(2-fluorophenyl)-3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyrazine-5,6-diamine is sourced from PubChem (CID 142482638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).