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;5-(8-chloroquinolin-6-yl)-3-ethynyl-6-(4-fluorophenyl)pyrazin-2-amine;(1S)-1-pyridin-2-ylethanamine

C75H54Cl3F3N16O3 — CID 167605955

IUPAC3-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;5-(8-chloroquinolin-6-yl)-3-ethynyl-6-(4-fluorophenyl)pyrazin-2-amine;(1S)-1-pyridin-2-ylethanamine
SMILESC#Cc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccc(F)cc2)nc1N.C[C@@H](NC(=O)c1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccc(F)cc2)nc1N)c1ccccn1.C[C@H](N)c1ccccn1.Nc1nc(-c2ccc(F)cc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)O
InChIInChI=1S/C27H20ClFN6O.C21H12ClFN4.C20H12ClFN4O2.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;1-2-17-21(24)27-19(12-5-7-15(23)8-6-12)20(26-17)14-10-13-4-3-9-25-18(13)16(22)11-14;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;1-6(8)7-4-2-3-5-9-7/h2-15H,1H3,(H2,30,35)(H,33,36);1,3-11H,(H2,24,27);1-9H,(H2,23,26)(H,27,28);2-6H,8H2,1H3/t15-;;;6-/m1..0/s1
InChIKeyKJQRXMDYDKGXOI-VRBYKOHOSA-N
MW1390.72 g/mol
LogP15.87
Rot. Bonds11

About 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;5-(8-chloroquinolin-6-yl)-3-ethynyl-6-(4-fluorophenyl)pyrazin-2-amine;(1S)-1-pyridin-2-ylethanamine

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;5-(8-chloroquinolin-6-yl)-3-ethynyl-6-(4-fluorophenyl)pyrazin-2-amine;(1S)-1-pyridin-2-ylethanamine (PubChem CID 167605955) has the molecular formula C75H54Cl3F3N16O3 and a molecular weight of 1390.72 g/mol. Its IUPAC name is 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;5-(8-chloroquinolin-6-yl)-3-ethynyl-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-carboxylic acid;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrazine-2-carboxamide;5-(8-chloroquinolin-6-yl)-3-ethynyl-6-(4-fluorophenyl)pyrazin-2-amine;(1S)-1-pyridin-2-ylethanamine
PubChem CID167605955
Molecular FormulaC75H54Cl3F3N16O3
Molecular Weight1390.72 g/mol
Exact Mass1388.36
IUPAC Name3-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;5-(8-chloroquinolin-6-yl)-3-ethynyl-6-(4-fluorophenyl)pyrazin-2-amine;(1S)-1-pyridin-2-ylethanamine
SMILESC#Cc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccc(F)cc2)nc1N.C[C@@H](NC(=O)c1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccc(F)cc2)nc1N)c1ccccn1.C[C@H](N)c1ccccn1.Nc1nc(-c2ccc(F)cc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)O
InChIInChI=1S/C27H20ClFN6O.C21H12ClFN4.C20H12ClFN4O2.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;1-2-17-21(24)27-19(12-5-7-15(23)8-6-12)20(26-17)14-10-13-4-3-9-25-18(13)16(22)11-14;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;1-6(8)7-4-2-3-5-9-7/h2-15H,1H3,(H2,30,35)(H,33,36);1,3-11H,(H2,24,27);1-9H,(H2,23,26)(H,27,28);2-6H,8H2,1H3/t15-;;;6-/m1..0/s1
InChIKeyKJQRXMDYDKGXOI-VRBYKOHOSA-N
XLogP15.87
TPSA312.27 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds11
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001390.72
LogP ≤ 515.87
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 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;5-(8-chloroquinolin-6-yl)-3-ethynyl-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-N-[(1S)-1-pyridin-2-ylethyl]pyrazine-2-carboxamide
CID 154604400
3-Amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid
CID 154604522
3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrazine-2-carboxamide
CID 154604575
3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide
CID 154996391
3-Amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylic acid
CID 137431027
3-amino-6-(8-chloroquinolin-6-yl)-5-phenyl-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide
CID 154604641
3-amino-6-(8-chloroquinolin-6-yl)-5-phenyl-N-[(1R)-1-pyridin-2-ylethyl]pyrazine-2-carboxamide
CID 154604745
3-amino-6-(8-chloroquinolin-6-yl)-5-phenyl-N-[1-(6-propyl-2-pyridinyl)ethyl]pyrazine-2-carboxamide
CID 154656347
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
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1-methylimidazole-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]-1-methylimidazole-4-carboxylic acid;methane
CID 157594976

Frequently Asked Questions

What is the IUPAC name of 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;5-(8-chloroquinolin-6-yl)-3-ethynyl-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-carboxylic acid;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrazine-2-carboxamide;5-(8-chloroquinolin-6-yl)-3-ethynyl-6-(4-fluorophenyl)pyrazin-2-amine;(1S)-1-pyridin-2-ylethanamine (CID 167605955) is 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;5-(8-chloroquinolin-6-yl)-3-ethynyl-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-carboxylic acid;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrazine-2-carboxamide;5-(8-chloroquinolin-6-yl)-3-ethynyl-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-carboxylic acid;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrazine-2-carboxamide;5-(8-chloroquinolin-6-yl)-3-ethynyl-6-(4-fluorophenyl)pyrazin-2-amine;(1S)-1-pyridin-2-ylethanamine is C#Cc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccc(F)cc2)nc1N.C[C@@H](NC(=O)c1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccc(F)cc2)nc1N)c1ccccn1.C[C@H](N)c1ccccn1.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-carboxylic acid;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrazine-2-carboxamide;5-(8-chloroquinolin-6-yl)-3-ethynyl-6-(4-fluorophenyl)pyrazin-2-amine;(1S)-1-pyridin-2-ylethanamine?
The InChIKey is KJQRXMDYDKGXOI-VRBYKOHOSA-N. The full InChI is InChI=1S/C27H20ClFN6O.C21H12ClFN4.C20H12ClFN4O2.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;1-2-17-21(24)27-19(12-5-7-15(23)8-6-12)20(26-17)14-10-13-4-3-9-25-18(13)16(22)11-14;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;1-6(8)7-4-2-3-5-9-7/h2-15H,1H3,(H2,30,35)(H,33,36);1,3-11H,(H2,24,27);1-9H,(H2,23,26)(H,27,28);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-carboxylic acid;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrazine-2-carboxamide;5-(8-chloroquinolin-6-yl)-3-ethynyl-6-(4-fluorophenyl)pyrazin-2-amine;(1S)-1-pyridin-2-ylethanamine?
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;5-(8-chloroquinolin-6-yl)-3-ethynyl-6-(4-fluorophenyl)pyrazin-2-amine;(1S)-1-pyridin-2-ylethanamine has a molecular weight of 1390.72 g/mol, XLogP of 15.87, 11 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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;5-(8-chloroquinolin-6-yl)-3-ethynyl-6-(4-fluorophenyl)pyrazin-2-amine;(1S)-1-pyridin-2-ylethanamine is sourced from PubChem (CID 167605955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).