6-(8-ethylpurin-7-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine

C36H27F6N13O — CID 157256582

IUPAC6-(8-ethylpurin-7-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine
SMILESCCc1nc2ncncc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ncccc2n1-c1cncc(Nc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C18H14F3N7.C18H13F3N6O/c1-2-15-27-17-13(7-23-10-24-17)28(15)16-9-22-8-14(26-16)25-12-5-3-11(4-6-12)18(19,20)21;1-11-24-17-14(3-2-8-23-17)27(11)16-10-22-9-15(26-16)25-12-4-6-13(7-5-12)28-18(19,20)21/h3-10H,2H2,1H3,(H,25,26);2-10H,1H3,(H,25,26)
InChIKeyAWYQZRALGMRRHR-UHFFFAOYSA-N
MW771.69 g/mol
LogP8.09
Rot. Bonds8

About 6-(8-ethylpurin-7-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine

6-(8-ethylpurin-7-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine (PubChem CID 157256582) has the molecular formula C36H27F6N13O and a molecular weight of 771.69 g/mol. Its IUPAC name is 6-(8-ethylpurin-7-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-(8-ethylpurin-7-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine
PubChem CID157256582
Molecular FormulaC36H27F6N13O
Molecular Weight771.69 g/mol
Exact Mass771.24
IUPAC Name6-(8-ethylpurin-7-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine
SMILESCCc1nc2ncncc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ncccc2n1-c1cncc(Nc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C18H14F3N7.C18H13F3N6O/c1-2-15-27-17-13(7-23-10-24-17)28(15)16-9-22-8-14(26-16)25-12-5-3-11(4-6-12)18(19,20)21;1-11-24-17-14(3-2-8-23-17)27(11)16-10-22-9-15(26-16)25-12-4-6-13(7-5-12)28-18(19,20)21/h3-10H,2H2,1H3,(H,25,26);2-10H,1H3,(H,25,26)
InChIKeyAWYQZRALGMRRHR-UHFFFAOYSA-N
XLogP8.09
TPSA159.16 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500771.69
LogP ≤ 58.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 6-(8-ethylpurin-7-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine with MolForge

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Related Compounds

Raf265
CID 11656518
N4-methyl-N2-{2-methyl-1-[2-({3-methyl-3H-imidazo[4,5-b]pyridin-6-yl}oxy)phenyl]-1H-indol-6-yl}pyrimidine-2,4-diamine
CID 121231410
2,4-Disubstituted Pyrimidine 2g
CID 5329420
9-cyclopentyl-N(8)-(2-fluorophenyl)-N(2)-(4-methoxyphenyl)-9H-purine-2,8-diamine
CID 11647397
3-(4-methoxyphenyl)-~{N}-[(3~{R})-1-pyridin-4-ylpyrrolidin-3-yl]-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine
CID 86278982
3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine
CID 25183355
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-9-(4-(1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl)benzyl)-7-(2,2,2-trifluoroethyl)-7,9-dihydro-8H-purin-8-imine
CID 165135384
N-[5-[4-(dimethylamino)piperidin-1-yl]-6-methoxy-2-pyridinyl]-8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 90654466
7-benzyl-4-N-(4-methoxyphenyl)-4-N-methyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 137661858
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Frequently Asked Questions

What is the IUPAC name of 6-(8-ethylpurin-7-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine?
The IUPAC name of 6-(8-ethylpurin-7-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine (CID 157256582) is 6-(8-ethylpurin-7-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine.
What is the SMILES notation for 6-(8-ethylpurin-7-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine?
The canonical SMILES for 6-(8-ethylpurin-7-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine is CCc1nc2ncncc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ncccc2n1-c1cncc(Nc2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of 6-(8-ethylpurin-7-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine?
The InChIKey is AWYQZRALGMRRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N7.C18H13F3N6O/c1-2-15-27-17-13(7-23-10-24-17)28(15)16-9-22-8-14(26-16)25-12-5-3-11(4-6-12)18(19,20)21;1-11-24-17-14(3-2-8-23-17)27(11)16-10-22-9-15(26-16)25-12-4-6-13(7-5-12)28-18(19,20)21/h3-10H,2H2,1H3,(H,25,26);2-10H,1H3,(H,25,26).
What are the key properties of 6-(8-ethylpurin-7-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine?
6-(8-ethylpurin-7-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine has a molecular weight of 771.69 g/mol, XLogP of 8.09, 8 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-ethylpurin-7-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine is sourced from PubChem (CID 157256582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).