8-amino-6-(3-fluorophenyl)-N-methyl-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxamide;8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylic acid

C41H29F8N11O3 — CID 158503217

IUPAC8-amino-6-(3-fluorophenyl)-N-methyl-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxamide;8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylic acid
SMILESCNC(=O)c1cn2c(-c3cc(C)nc(C(F)(F)F)c3)c(-c3cccc(F)c3)nc(N)c2n1.Cc1cc(-c2c(-c3cccc(F)c3)nc(N)c3nc(C(=O)O)cn23)cc(C(F)(F)F)n1
InChIInChI=1S/C21H16F4N6O.C20H13F4N5O2/c1-10-6-12(8-15(28-10)21(23,24)25)17-16(11-4-3-5-13(22)7-11)30-18(26)19-29-14(9-31(17)19)20(32)27-2;1-9-5-11(7-14(26-9)20(22,23)24)16-15(10-3-2-4-12(21)6-10)28-17(25)18-27-13(19(30)31)8-29(16)18/h3-9H,1-2H3,(H2,26,30)(H,27,32);2-8H,1H3,(H2,25,28)(H,30,31)
InChIKeyHKDQJHHQWOUEEQ-UHFFFAOYSA-N
MW875.74 g/mol
LogP8.07
Rot. Bonds6

About 8-amino-6-(3-fluorophenyl)-N-methyl-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxamide;8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylic acid

8-amino-6-(3-fluorophenyl)-N-methyl-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxamide;8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylic acid (PubChem CID 158503217) has the molecular formula C41H29F8N11O3 and a molecular weight of 875.74 g/mol. Its IUPAC name is 8-amino-6-(3-fluorophenyl)-N-methyl-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxamide;8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name8-amino-6-(3-fluorophenyl)-N-methyl-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxamide;8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylic acid
PubChem CID158503217
Molecular FormulaC41H29F8N11O3
Molecular Weight875.74 g/mol
Exact Mass875.23
IUPAC Name8-amino-6-(3-fluorophenyl)-N-methyl-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxamide;8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylic acid
SMILESCNC(=O)c1cn2c(-c3cc(C)nc(C(F)(F)F)c3)c(-c3cccc(F)c3)nc(N)c2n1.Cc1cc(-c2c(-c3cccc(F)c3)nc(N)c3nc(C(=O)O)cn23)cc(C(F)(F)F)n1
InChIInChI=1S/C21H16F4N6O.C20H13F4N5O2/c1-10-6-12(8-15(28-10)21(23,24)25)17-16(11-4-3-5-13(22)7-11)30-18(26)19-29-14(9-31(17)19)20(32)27-2;1-9-5-11(7-14(26-9)20(22,23)24)16-15(10-3-2-4-12(21)6-10)28-17(25)18-27-13(19(30)31)8-29(16)18/h3-9H,1-2H3,(H2,26,30)(H,27,32);2-8H,1H3,(H2,25,28)(H,30,31)
InChIKeyHKDQJHHQWOUEEQ-UHFFFAOYSA-N
XLogP8.07
TPSA204.60 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500875.74
LogP ≤ 58.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 8-amino-6-(3-fluorophenyl)-N-methyl-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxamide;8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylic acid with MolForge

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Related Compounds

6-[3-(2,2-Difluoroethyl)-5-(6-methylpyridin-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 135223028
US9981944, Example 84
CID 122478437
2-[3-[3-(2,2,2-Trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrimidine-5-carboxylic acid
CID 44549026
4-Amino-2-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrimidine-5-carboxylic acid
CID 68169999
Imidazo[1,2-a]pyridin-3-yl-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 119098988
US9981944, Example 88
CID 122478514
US9981944, Example 90
CID 122478536
US9981944, Example 85
CID 122478546
US9981944, Example 68
CID 122478560
US9981944, Example 69
CID 122478608
US9884868, Example 179''
CID 122510400
US9884868, Example 291''
CID 122510425

Frequently Asked Questions

What is the IUPAC name of 8-amino-6-(3-fluorophenyl)-N-methyl-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxamide;8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylic acid?
The IUPAC name of 8-amino-6-(3-fluorophenyl)-N-methyl-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxamide;8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylic acid (CID 158503217) is 8-amino-6-(3-fluorophenyl)-N-methyl-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxamide;8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylic acid.
What is the SMILES notation for 8-amino-6-(3-fluorophenyl)-N-methyl-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxamide;8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylic acid?
The canonical SMILES for 8-amino-6-(3-fluorophenyl)-N-methyl-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxamide;8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylic acid is CNC(=O)c1cn2c(-c3cc(C)nc(C(F)(F)F)c3)c(-c3cccc(F)c3)nc(N)c2n1.Cc1cc(-c2c(-c3cccc(F)c3)nc(N)c3nc(C(=O)O)cn23)cc(C(F)(F)F)n1.
What is the InChIKey of 8-amino-6-(3-fluorophenyl)-N-methyl-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxamide;8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylic acid?
The InChIKey is HKDQJHHQWOUEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F4N6O.C20H13F4N5O2/c1-10-6-12(8-15(28-10)21(23,24)25)17-16(11-4-3-5-13(22)7-11)30-18(26)19-29-14(9-31(17)19)20(32)27-2;1-9-5-11(7-14(26-9)20(22,23)24)16-15(10-3-2-4-12(21)6-10)28-17(25)18-27-13(19(30)31)8-29(16)18/h3-9H,1-2H3,(H2,26,30)(H,27,32);2-8H,1H3,(H2,25,28)(H,30,31).
What are the key properties of 8-amino-6-(3-fluorophenyl)-N-methyl-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxamide;8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylic acid?
8-amino-6-(3-fluorophenyl)-N-methyl-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxamide;8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylic acid has a molecular weight of 875.74 g/mol, XLogP of 8.07, 6 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-6-(3-fluorophenyl)-N-methyl-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxamide;8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylic acid is sourced from PubChem (CID 158503217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).