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

C78H74BCl2F9N14O8 — CID 159666699

IUPAC3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-6-(1-cyclopropyl-6-oxo-3-pyridinyl)-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one;(2,6-difluorophenyl)methanamine;methane
SMILESC.C.CC1(C)OB(c2ccn(C3CC3)c(=O)c2)OC1(C)C.NCc1c(F)cccc1F.Nc1nc(-c2ccc(F)cc2)c(-c2ccc(=O)n(C3CC3)c2)nc1C(=O)NCc1c(F)cccc1F.Nc1nc(-c2ccc(F)cc2)c(Cl)nc1C(=O)NCc1c(F)cccc1F.Nc1nc(-c2ccc(F)cc2)c(Cl)nc1C(=O)O
InChIInChI=1S/C26H20F3N5O2.C18H12ClF3N4O.C14H20BNO3.C11H7ClFN3O2.C7H7F2N.2CH4/c27-16-7-4-14(5-8-16)22-23(15-6-11-21(35)34(13-15)17-9-10-17)32-24(25(30)33-22)26(36)31-12-18-19(28)2-1-3-20(18)29;19-16-14(9-4-6-10(20)7-5-9)26-17(23)15(25-16)18(27)24-8-11-12(21)2-1-3-13(11)22;1-13(2)14(3,4)19-15(18-13)10-7-8-16(11-5-6-11)12(17)9-10;12-9-7(5-1-3-6(13)4-2-5)16-10(14)8(15-9)11(17)18;8-6-2-1-3-7(9)5(6)4-10;;/h1-8,11,13,17H,9-10,12H2,(H2,30,33)(H,31,36);1-7H,8H2,(H2,23,26)(H,24,27);7-9,11H,5-6H2,1-4H3;1-4H,(H2,14,16)(H,17,18);1-3H,4,10H2;2*1H4
InChIKeyMTMMZTRLCOZDGL-UHFFFAOYSA-N
MW1588.24 g/mol
LogP14.36
Rot. Bonds15

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

3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-6-(1-cyclopropyl-6-oxo-3-pyridinyl)-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one;(2,6-difluorophenyl)methanamine;methane (PubChem CID 159666699) has the molecular formula C78H74BCl2F9N14O8 and a molecular weight of 1588.24 g/mol. Its IUPAC name is 3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-6-(1-cyclopropyl-6-oxo-3-pyridinyl)-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one;(2,6-difluorophenyl)methanamine;methane.

Molecular Properties

Compound Name3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-6-(1-cyclopropyl-6-oxo-3-pyridinyl)-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one;(2,6-difluorophenyl)methanamine;methane
PubChem CID159666699
Molecular FormulaC78H74BCl2F9N14O8
Molecular Weight1588.24 g/mol
Exact Mass1586.51
IUPAC Name3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-6-(1-cyclopropyl-6-oxo-3-pyridinyl)-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one;(2,6-difluorophenyl)methanamine;methane
SMILESC.C.CC1(C)OB(c2ccn(C3CC3)c(=O)c2)OC1(C)C.NCc1c(F)cccc1F.Nc1nc(-c2ccc(F)cc2)c(-c2ccc(=O)n(C3CC3)c2)nc1C(=O)NCc1c(F)cccc1F.Nc1nc(-c2ccc(F)cc2)c(Cl)nc1C(=O)NCc1c(F)cccc1F.Nc1nc(-c2ccc(F)cc2)c(Cl)nc1C(=O)O
InChIInChI=1S/C26H20F3N5O2.C18H12ClF3N4O.C14H20BNO3.C11H7ClFN3O2.C7H7F2N.2CH4/c27-16-7-4-14(5-8-16)22-23(15-6-11-21(35)34(13-15)17-9-10-17)32-24(25(30)33-22)26(36)31-12-18-19(28)2-1-3-20(18)29;19-16-14(9-4-6-10(20)7-5-9)26-17(23)15(25-16)18(27)24-8-11-12(21)2-1-3-13(11)22;1-13(2)14(3,4)19-15(18-13)10-7-8-16(11-5-6-11)12(17)9-10;12-9-7(5-1-3-6(13)4-2-5)16-10(14)8(15-9)11(17)18;8-6-2-1-3-7(9)5(6)4-10;;/h1-8,11,13,17H,9-10,12H2,(H2,30,33)(H,31,36);1-7H,8H2,(H2,23,26)(H,24,27);7-9,11H,5-6H2,1-4H3;1-4H,(H2,14,16)(H,17,18);1-3H,4,10H2;2*1H4
InChIKeyMTMMZTRLCOZDGL-UHFFFAOYSA-N
XLogP14.36
TPSA339.38 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds15
Heavy Atoms112
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001588.24
LogP ≤ 514.36
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

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

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Related Compounds

3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
CID 159117828
3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;1-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-3-[6-(dimethylamino)-2-pyridinyl]propan-1-one;5-[5-amino-6-[3-[6-(dimethylamino)-2-pyridinyl]propanoyl]-3-(4-fluorophenyl)pyrazin-2-yl]-1-methylpyridin-2-one;6-(aminomethyl)-N,N-dimethylpyridin-2-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
CID 160943081
3-amino-6-chloro-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide;6-(aminomethyl)-N,N-dimethylpyridin-2-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
CID 161668214
3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-6-(1-cyclopropyl-6-oxo-3-pyridinyl)-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one;(2,6-difluorophenyl)methanamine
CID 161707523

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-6-(1-cyclopropyl-6-oxo-3-pyridinyl)-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one;(2,6-difluorophenyl)methanamine;methane?
The IUPAC name of 3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-6-(1-cyclopropyl-6-oxo-3-pyridinyl)-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one;(2,6-difluorophenyl)methanamine;methane (CID 159666699) is 3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-6-(1-cyclopropyl-6-oxo-3-pyridinyl)-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one;(2,6-difluorophenyl)methanamine;methane.
What is the SMILES notation for 3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-6-(1-cyclopropyl-6-oxo-3-pyridinyl)-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one;(2,6-difluorophenyl)methanamine;methane?
The canonical SMILES for 3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-6-(1-cyclopropyl-6-oxo-3-pyridinyl)-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one;(2,6-difluorophenyl)methanamine;methane is C.C.CC1(C)OB(c2ccn(C3CC3)c(=O)c2)OC1(C)C.NCc1c(F)cccc1F.Nc1nc(-c2ccc(F)cc2)c(-c2ccc(=O)n(C3CC3)c2)nc1C(=O)NCc1c(F)cccc1F.Nc1nc(-c2ccc(F)cc2)c(Cl)nc1C(=O)NCc1c(F)cccc1F.Nc1nc(-c2ccc(F)cc2)c(Cl)nc1C(=O)O.
What is the InChIKey of 3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-6-(1-cyclopropyl-6-oxo-3-pyridinyl)-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one;(2,6-difluorophenyl)methanamine;methane?
The InChIKey is MTMMZTRLCOZDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3N5O2.C18H12ClF3N4O.C14H20BNO3.C11H7ClFN3O2.C7H7F2N.2CH4/c27-16-7-4-14(5-8-16)22-23(15-6-11-21(35)34(13-15)17-9-10-17)32-24(25(30)33-22)26(36)31-12-18-19(28)2-1-3-20(18)29;19-16-14(9-4-6-10(20)7-5-9)26-17(23)15(25-16)18(27)24-8-11-12(21)2-1-3-13(11)22;1-13(2)14(3,4)19-15(18-13)10-7-8-16(11-5-6-11)12(17)9-10;12-9-7(5-1-3-6(13)4-2-5)16-10(14)8(15-9)11(17)18;8-6-2-1-3-7(9)5(6)4-10;;/h1-8,11,13,17H,9-10,12H2,(H2,30,33)(H,31,36);1-7H,8H2,(H2,23,26)(H,24,27);7-9,11H,5-6H2,1-4H3;1-4H,(H2,14,16)(H,17,18);1-3H,4,10H2;2*1H4.
What are the key properties of 3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-6-(1-cyclopropyl-6-oxo-3-pyridinyl)-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one;(2,6-difluorophenyl)methanamine;methane?
3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-6-(1-cyclopropyl-6-oxo-3-pyridinyl)-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one;(2,6-difluorophenyl)methanamine;methane has a molecular weight of 1588.24 g/mol, XLogP of 14.36, 15 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-6-(1-cyclopropyl-6-oxo-3-pyridinyl)-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one;(2,6-difluorophenyl)methanamine;methane is sourced from PubChem (CID 159666699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).