3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrazine-2-carboxamide;3-bromo-5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine;(1S)-1-pyridin-2-ylethanamine

C93H64BrCl4F4N21O3 — CID 159673262

IUPAC3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrazine-2-carboxamide;3-bromo-5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine;(1S)-1-pyridin-2-ylethanamine
SMILESC[C@@H](NC(=O)c1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccc(F)cc2)nc1N)c1ccccn1.C[C@H](N)c1ccccn1.N#Cc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccc(F)cc2)nc1N.Nc1nc(-c2ccc(F)cc2)c(-c2cc(Cl)c3ncccc3c2)nc1Br.Nc1nc(-c2ccc(F)cc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)O
InChIInChI=1S/C27H20ClFN6O.C20H11ClFN5.C20H12ClFN4O2.C19H11BrClFN4.C7H10N2/c1-15(21-6-2-3-11-31-21)33-27(36)25-26(30)35-23(16-7-9-19(29)10-8-16)24(34-25)18-13-17-5-4-12-32-22(17)20(28)14-18;21-15-9-13(8-12-2-1-7-25-17(12)15)19-18(11-3-5-14(22)6-4-11)27-20(24)16(10-23)26-19;21-14-9-12(8-11-2-1-7-24-15(11)14)17-16(10-3-5-13(22)6-4-10)26-19(23)18(25-17)20(27)28;20-18-19(23)26-16(10-3-5-13(22)6-4-10)17(25-18)12-8-11-2-1-7-24-15(11)14(21)9-12;1-6(8)7-4-2-3-5-9-7/h2-15H,1H3,(H2,30,35)(H,33,36);1-9H,(H2,24,27);1-9H,(H2,23,26)(H,27,28);1-9H,(H2,23,26);2-6H,8H2,1H3/t15-;;;;6-/m1...0/s1
InChIKeyMUGOJKPUORUTPX-RTTLLSBBSA-N
MW1821.39 g/mol
LogP21.25
Rot. Bonds13

About 3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrazine-2-carboxamide;3-bromo-5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine;(1S)-1-pyridin-2-ylethanamine

3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrazine-2-carboxamide;3-bromo-5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine;(1S)-1-pyridin-2-ylethanamine (PubChem CID 159673262) has the molecular formula C93H64BrCl4F4N21O3 and a molecular weight of 1821.39 g/mol. Its IUPAC name is 3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrazine-2-carboxamide;3-bromo-5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine;(1S)-1-pyridin-2-ylethanamine.

Molecular Properties

Compound Name3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrazine-2-carboxamide;3-bromo-5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine;(1S)-1-pyridin-2-ylethanamine
PubChem CID159673262
Molecular FormulaC93H64BrCl4F4N21O3
Molecular Weight1821.39 g/mol
Exact Mass1817.34
IUPAC Name3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrazine-2-carboxamide;3-bromo-5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine;(1S)-1-pyridin-2-ylethanamine
SMILESC[C@@H](NC(=O)c1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccc(F)cc2)nc1N)c1ccccn1.C[C@H](N)c1ccccn1.N#Cc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccc(F)cc2)nc1N.Nc1nc(-c2ccc(F)cc2)c(-c2cc(Cl)c3ncccc3c2)nc1Br.Nc1nc(-c2ccc(F)cc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)O
InChIInChI=1S/C27H20ClFN6O.C20H11ClFN5.C20H12ClFN4O2.C19H11BrClFN4.C7H10N2/c1-15(21-6-2-3-11-31-21)33-27(36)25-26(30)35-23(16-7-9-19(29)10-8-16)24(34-25)18-13-17-5-4-12-32-22(17)20(28)14-18;21-15-9-13(8-12-2-1-7-25-17(12)15)19-18(11-3-5-14(22)6-4-11)27-20(24)16(10-23)26-19;21-14-9-12(8-11-2-1-7-24-15(11)14)17-16(10-3-5-13(22)6-4-10)26-19(23)18(25-17)20(27)28;20-18-19(23)26-16(10-3-5-13(22)6-4-10)17(25-18)12-8-11-2-1-7-24-15(11)14(21)9-12;1-6(8)7-4-2-3-5-9-7/h2-15H,1H3,(H2,30,35)(H,33,36);1-9H,(H2,24,27);1-9H,(H2,23,26)(H,27,28);1-9H,(H2,23,26);2-6H,8H2,1H3/t15-;;;;6-/m1...0/s1
InChIKeyMUGOJKPUORUTPX-RTTLLSBBSA-N
XLogP21.25
TPSA400.75 Ų
H-Bond Donors7
H-Bond Acceptors22
Rotatable Bonds13
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001821.39
LogP ≤ 521.25
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1022

Analyze 3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrazine-2-carboxamide;3-bromo-5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine;(1S)-1-pyridin-2-ylethanamine with MolForge

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Related Compounds

3-amino-6-(8-chloroquinolin-6-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide
CID 154604462
3-amino-6-(8-chloroquinolin-6-yl)-5-phenyl-1H-pyrazin-2-one;3-bromo-5-(8-chloroquinolin-6-yl)-6-phenylpyrazin-2-amine;3-chloro-5-(8-chloroquinolin-6-yl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-fluoro-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(trifluoromethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(trifluoromethyl)pyrazin-2-amine
CID 161632590
3-amino-6-(8-chloroquinolin-6-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylic acid;1-(6-isocyano-2-pyridinyl)ethanamine
CID 157236754
3-amino-6-(8-chloroquinolin-6-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;6-(1-aminoethyl)pyridine-2-carbonitrile
CID 157459534
3-amino-5-phenyl-N-(2-pyridin-2-ylpropan-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide;3-amino-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxylic acid;pyridine-2-carbonitrile;2-pyridin-2-ylpropan-2-amine
CID 158390386
3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)-N-[2-(oxan-4-yl)ethyl]pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;2-(oxan-4-yl)ethanamine
CID 158395033
3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-7-(3-chloro-2-fluorophenyl)-5H-pyrrolo[3,4-b]pyrazine-2-carboxamide;3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1,5-dihydropyrrolo[3,4-b]pyrazin-2-one;3-(4-amino-4-methylpiperidin-1-yl)-7-(3-chloro-2-fluorophenyl)-5H-pyrrolo[3,4-b]pyrazine-2-carboxamide;3-(4-amino-4-methylpiperidin-1-yl)-7-(3-chloro-2-fluorophenyl)-5H-pyrrolo[3,4-b]pyrazine-2-carboxylic acid;[1-[7-(3-chloro-2-fluorophenyl)-2-isocyano-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-yl]methanamine
CID 158996417
3-amino-5-phenyl-N-[(1R)-1-pyrazin-2-ylethyl]-6-quinolin-6-ylpyrazine-2-carboxamide;3-amino-5-phenyl-N-[(1S)-1-pyrazin-2-ylethyl]-6-quinolin-6-ylpyrazine-2-carboxamide;3-amino-5-phenyl-N-(1-pyrazin-2-ylethyl)-6-quinolin-6-ylpyrazine-2-carboxamide;3-amino-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxylic acid;1-pyrazin-2-ylethanamine
CID 159506681
3-amino-6-(8-chloroquinolin-6-yl)-N-[(6-cyano-2-pyridinyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;(6-isocyano-2-pyridinyl)methanamine
CID 159653002
3-amino-N-[(1R)-1-(6-cyano-2-pyridinyl)ethyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide;3-amino-N-[(1S)-1-(6-cyano-2-pyridinyl)ethyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide;3-amino-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide;6-(1-aminoethyl)pyridine-2-carbonitrile;3-amino-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxylic acid
CID 159797269
3-amino-N-[(6-cyano-2-pyridinyl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide;3-amino-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxylic acid;(6-isocyano-2-pyridinyl)methanamine
CID 159975478
3-amino-N-[2-(diethylamino)ethyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide;3-amino-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxylic acid;N',N'-diethylethane-1,2-diamine
CID 160265753

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrazine-2-carboxamide;3-bromo-5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine;(1S)-1-pyridin-2-ylethanamine?
The IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrazine-2-carboxamide;3-bromo-5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine;(1S)-1-pyridin-2-ylethanamine (CID 159673262) is 3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrazine-2-carboxamide;3-bromo-5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine;(1S)-1-pyridin-2-ylethanamine.
What is the SMILES notation for 3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrazine-2-carboxamide;3-bromo-5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine;(1S)-1-pyridin-2-ylethanamine?
The canonical SMILES for 3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrazine-2-carboxamide;3-bromo-5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine;(1S)-1-pyridin-2-ylethanamine is C[C@@H](NC(=O)c1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccc(F)cc2)nc1N)c1ccccn1.C[C@H](N)c1ccccn1.N#Cc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccc(F)cc2)nc1N.Nc1nc(-c2ccc(F)cc2)c(-c2cc(Cl)c3ncccc3c2)nc1Br.Nc1nc(-c2ccc(F)cc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)O.
What is the InChIKey of 3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrazine-2-carboxamide;3-bromo-5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine;(1S)-1-pyridin-2-ylethanamine?
The InChIKey is MUGOJKPUORUTPX-RTTLLSBBSA-N. The full InChI is InChI=1S/C27H20ClFN6O.C20H11ClFN5.C20H12ClFN4O2.C19H11BrClFN4.C7H10N2/c1-15(21-6-2-3-11-31-21)33-27(36)25-26(30)35-23(16-7-9-19(29)10-8-16)24(34-25)18-13-17-5-4-12-32-22(17)20(28)14-18;21-15-9-13(8-12-2-1-7-25-17(12)15)19-18(11-3-5-14(22)6-4-11)27-20(24)16(10-23)26-19;21-14-9-12(8-11-2-1-7-24-15(11)14)17-16(10-3-5-13(22)6-4-10)26-19(23)18(25-17)20(27)28;20-18-19(23)26-16(10-3-5-13(22)6-4-10)17(25-18)12-8-11-2-1-7-24-15(11)14(21)9-12;1-6(8)7-4-2-3-5-9-7/h2-15H,1H3,(H2,30,35)(H,33,36);1-9H,(H2,24,27);1-9H,(H2,23,26)(H,27,28);1-9H,(H2,23,26);2-6H,8H2,1H3/t15-;;;;6-/m1...0/s1.
What are the key properties of 3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrazine-2-carboxamide;3-bromo-5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine;(1S)-1-pyridin-2-ylethanamine?
3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrazine-2-carboxamide;3-bromo-5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine;(1S)-1-pyridin-2-ylethanamine has a molecular weight of 1821.39 g/mol, XLogP of 21.25, 13 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrazine-2-carboxamide;3-bromo-5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine;(1S)-1-pyridin-2-ylethanamine is sourced from PubChem (CID 159673262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).