3-amino-6-chloro-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide;3-amino-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide;1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one;methane

C59H64BClF2N10O8 — CID 160598267

IUPAC3-amino-6-chloro-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide;3-amino-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide;1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one;methane
SMILESC.COc1ccccc1CNC(=O)c1nc(-c2cc(C)c(=O)n(C)c2)c(-c2ccc(F)cc2)nc1N.COc1ccccc1CNC(=O)c1nc(Cl)c(-c2ccc(F)cc2)nc1N.Cc1cc(B2OC(C)(C)C(C)(C)O2)cn(C)c1=O
InChIInChI=1S/C26H24FN5O3.C19H16ClFN4O2.C13H20BNO3.CH4/c1-15-12-18(14-32(2)26(15)34)22-21(16-8-10-19(27)11-9-16)31-24(28)23(30-22)25(33)29-13-17-6-4-5-7-20(17)35-3;1-27-14-5-3-2-4-12(14)10-23-19(26)16-18(22)25-15(17(20)24-16)11-6-8-13(21)9-7-11;1-9-7-10(8-15(6)11(9)16)14-17-12(2,3)13(4,5)18-14;/h4-12,14H,13H2,1-3H3,(H2,28,31)(H,29,33);2-9H,10H2,1H3,(H2,22,25)(H,23,26);7-8H,1-6H3;1H4
InChIKeyRDXULOLDTDLSQV-UHFFFAOYSA-N
MW1125.48 g/mol
LogP8.56
Rot. Bonds12

About 3-amino-6-chloro-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide;3-amino-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide;1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one;methane

3-amino-6-chloro-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide;3-amino-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide;1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one;methane (PubChem CID 160598267) has the molecular formula C59H64BClF2N10O8 and a molecular weight of 1125.48 g/mol. Its IUPAC name is 3-amino-6-chloro-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide;3-amino-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide;1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one;methane.

Molecular Properties

Compound Name3-amino-6-chloro-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide;3-amino-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide;1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one;methane
PubChem CID160598267
Molecular FormulaC59H64BClF2N10O8
Molecular Weight1125.48 g/mol
Exact Mass1124.47
IUPAC Name3-amino-6-chloro-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide;3-amino-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide;1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one;methane
SMILESC.COc1ccccc1CNC(=O)c1nc(-c2cc(C)c(=O)n(C)c2)c(-c2ccc(F)cc2)nc1N.COc1ccccc1CNC(=O)c1nc(Cl)c(-c2ccc(F)cc2)nc1N.Cc1cc(B2OC(C)(C)C(C)(C)O2)cn(C)c1=O
InChIInChI=1S/C26H24FN5O3.C19H16ClFN4O2.C13H20BNO3.CH4/c1-15-12-18(14-32(2)26(15)34)22-21(16-8-10-19(27)11-9-16)31-24(28)23(30-22)25(33)29-13-17-6-4-5-7-20(17)35-3;1-27-14-5-3-2-4-12(14)10-23-19(26)16-18(22)25-15(17(20)24-16)11-6-8-13(21)9-7-11;1-9-7-10(8-15(6)11(9)16)14-17-12(2,3)13(4,5)18-14;/h4-12,14H,13H2,1-3H3,(H2,28,31)(H,29,33);2-9H,10H2,1H3,(H2,22,25)(H,23,26);7-8H,1-6H3;1H4
InChIKeyRDXULOLDTDLSQV-UHFFFAOYSA-N
XLogP8.56
TPSA242.72 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001125.48
LogP ≤ 58.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 3-amino-6-chloro-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide;3-amino-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide;1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one;methane with MolForge

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Related Compounds

3-amino-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide
CID 146380240
3-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxopyridin-3-yl)pyrazine-2-carboxamide
CID 146380258
3-amino-N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide
CID 146380263
3-amino-6-(1-ethyl-6-oxo-3-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 146386429
3-amino-N-[[2-(difluoromethoxy)-6-ethenylphenyl]methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide
CID 146386434
3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(4-fluoro-2-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide
CID 146386540
3-amino-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 146386557
3-amino-6-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide
CID 155209170
3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(5-fluoro-2-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide
CID 155209199
3-amino-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazine-2-carboxamide
CID 155209241
3-amino-6-chloro-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 155209367
3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(2-fluoro-6-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide
CID 155209418

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide;3-amino-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide;1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one;methane?
The IUPAC name of 3-amino-6-chloro-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide;3-amino-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide;1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one;methane (CID 160598267) is 3-amino-6-chloro-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide;3-amino-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide;1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one;methane.
What is the SMILES notation for 3-amino-6-chloro-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide;3-amino-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide;1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one;methane?
The canonical SMILES for 3-amino-6-chloro-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide;3-amino-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide;1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one;methane is C.COc1ccccc1CNC(=O)c1nc(-c2cc(C)c(=O)n(C)c2)c(-c2ccc(F)cc2)nc1N.COc1ccccc1CNC(=O)c1nc(Cl)c(-c2ccc(F)cc2)nc1N.Cc1cc(B2OC(C)(C)C(C)(C)O2)cn(C)c1=O.
What is the InChIKey of 3-amino-6-chloro-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide;3-amino-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide;1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one;methane?
The InChIKey is RDXULOLDTDLSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O3.C19H16ClFN4O2.C13H20BNO3.CH4/c1-15-12-18(14-32(2)26(15)34)22-21(16-8-10-19(27)11-9-16)31-24(28)23(30-22)25(33)29-13-17-6-4-5-7-20(17)35-3;1-27-14-5-3-2-4-12(14)10-23-19(26)16-18(22)25-15(17(20)24-16)11-6-8-13(21)9-7-11;1-9-7-10(8-15(6)11(9)16)14-17-12(2,3)13(4,5)18-14;/h4-12,14H,13H2,1-3H3,(H2,28,31)(H,29,33);2-9H,10H2,1H3,(H2,22,25)(H,23,26);7-8H,1-6H3;1H4.
What are the key properties of 3-amino-6-chloro-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide;3-amino-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide;1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one;methane?
3-amino-6-chloro-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide;3-amino-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide;1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one;methane has a molecular weight of 1125.48 g/mol, XLogP of 8.56, 12 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloro-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide;3-amino-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide;1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one;methane is sourced from PubChem (CID 160598267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).