2,6-difluoro-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;2,4-difluoro-N-[5-[4-methyl-1-(4-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[4-methyl-1-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;bis(2,4-difluoro-N-[5-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide);2,6-difluoro-N-[4-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;2,6-difluoro-N-[5-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;ethyl 5-[4-[(2,6-difluorobenzoyl)amino]phenyl]-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylate;2-fluoro-4-methyl-N-[4-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;dihydrochloride

C193H180Cl2F17N45O11S7 — CID 159970236

IUPAC2,6-difluoro-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;2,4-difluoro-N-[5-[4-methyl-1-(4-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[4-methyl-1-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;bis(2,4-difluoro-N-[5-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide);2,6-difluoro-N-[4-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;2,6-difluoro-N-[5-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;ethyl 5-[4-[(2,6-difluorobenzoyl)amino]phenyl]-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylate;2-fluoro-4-methyl-N-[4-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;dihydrochloride
SMILESCC(C)C1=C(c2ccc(NC(=O)c3c(F)cccc3F)cc2)CN(c2nccs2)CC1.CC(C)C1=C(c2cnc(NC(=O)c3c(F)cccc3F)cn2)CN(c2nccs2)CC1.CC1=C(c2cnc(NC(=O)c3c(F)cccc3F)cn2)CN(c2nn[nH]n2)CC1.CC1=C(c2cnc(NC(=O)c3c(F)cccc3F)cn2)CN(c2nnn(C)n2)CC1.CC1=C(c2cnc(NC(=O)c3ccc(F)cc3F)cn2)CN(c2nc(C)cs2)CC1.CC1=C(c2cnc(NC(=O)c3ccc(F)cc3F)cn2)CN(c2nccs2)CC1.CC1=C(c2cnc(NC(=O)c3ccc(F)cc3F)cn2)CN(c2nccs2)CC1.CCOC(=O)C1=C(c2ccc(NC(=O)c3c(F)cccc3F)cc2)CN(c2nccs2)CC1.Cc1ccc(C(=O)Nc2ccc(C3=C(C(C)C)CCN(c4nccs4)C3)cc2)c(F)c1.Cl.Cl
InChIInChI=1S/C25H26FN3OS.C24H21F2N3O3S.C24H23F2N3OS.C22H21F2N5OS.C21H19F2N5OS.2C20H17F2N5OS.C19H18F2N8O.C18H16F2N8O.2ClH/c1-16(2)20-10-12-29(25-27-11-13-31-25)15-22(20)18-5-7-19(8-6-18)28-24(30)21-9-4-17(3)14-23(21)26;1-2-32-23(31)17-10-12-29(24-27-11-13-33-24)14-18(17)15-6-8-16(9-7-15)28-22(30)21-19(25)4-3-5-20(21)26;1-15(2)18-10-12-29(24-27-11-13-31-24)14-19(18)16-6-8-17(9-7-16)28-23(30)22-20(25)4-3-5-21(22)26;1-13(2)14-6-8-29(22-25-7-9-31-22)12-15(14)18-10-27-19(11-26-18)28-21(30)20-16(23)4-3-5-17(20)24;1-12-5-6-28(21-26-13(2)11-30-21)10-16(12)18-8-25-19(9-24-18)27-20(29)15-4-3-14(22)7-17(15)23;2*1-12-4-6-27(20-23-5-7-29-20)11-15(12)17-9-25-18(10-24-17)26-19(28)14-3-2-13(21)8-16(14)22;1-11-6-7-29(19-25-27-28(2)26-19)10-12(11)15-8-23-16(9-22-15)24-18(30)17-13(20)4-3-5-14(17)21;1-10-5-6-28(18-24-26-27-25-18)9-11(10)14-7-22-15(8-21-14)23-17(29)16-12(19)3-2-4-13(16)20;;/h4-9,11,13-14,16H,10,12,15H2,1-3H3,(H,28,30);3-9,11,13H,2,10,12,14H2,1H3,(H,28,30);3-9,11,13,15H,10,12,14H2,1-2H3,(H,28,30);3-5,7,9-11,13H,6,8,12H2,1-2H3,(H,27,28,30);3-4,7-9,11H,5-6,10H2,1-2H3,(H,25,27,29);2*2-3,5,7-10H,4,6,11H2,1H3,(H,25,26,28);3-5,8-9H,6-7,10H2,1-2H3,(H,23,24,30);2-4,7-8H,5-6,9H2,1H3,(H,22,23,29)(H,24,25,26,27);2*1H
InChIKeyUTRRBNKZYFDHNR-UHFFFAOYSA-N
MW3924.21 g/mol
LogP39.85
Rot. Bonds41

About 2,6-difluoro-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;2,4-difluoro-N-[5-[4-methyl-1-(4-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[4-methyl-1-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;bis(2,4-difluoro-N-[5-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide);2,6-difluoro-N-[4-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;2,6-difluoro-N-[5-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;ethyl 5-[4-[(2,6-difluorobenzoyl)amino]phenyl]-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylate;2-fluoro-4-methyl-N-[4-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;dihydrochloride

2,6-difluoro-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;2,4-difluoro-N-[5-[4-methyl-1-(4-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[4-methyl-1-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;bis(2,4-difluoro-N-[5-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide);2,6-difluoro-N-[4-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;2,6-difluoro-N-[5-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;ethyl 5-[4-[(2,6-difluorobenzoyl)amino]phenyl]-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylate;2-fluoro-4-methyl-N-[4-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;dihydrochloride (PubChem CID 159970236) has the molecular formula C193H180Cl2F17N45O11S7 and a molecular weight of 3924.21 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;2,4-difluoro-N-[5-[4-methyl-1-(4-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[4-methyl-1-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;bis(2,4-difluoro-N-[5-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide);2,6-difluoro-N-[4-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;2,6-difluoro-N-[5-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;ethyl 5-[4-[(2,6-difluorobenzoyl)amino]phenyl]-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylate;2-fluoro-4-methyl-N-[4-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name2,6-difluoro-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;2,4-difluoro-N-[5-[4-methyl-1-(4-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[4-methyl-1-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;bis(2,4-difluoro-N-[5-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide);2,6-difluoro-N-[4-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;2,6-difluoro-N-[5-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;ethyl 5-[4-[(2,6-difluorobenzoyl)amino]phenyl]-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylate;2-fluoro-4-methyl-N-[4-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;dihydrochloride
PubChem CID159970236
Molecular FormulaC193H180Cl2F17N45O11S7
Molecular Weight3924.21 g/mol
Exact Mass3920.21
IUPAC Name2,6-difluoro-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;2,4-difluoro-N-[5-[4-methyl-1-(4-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[4-methyl-1-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;bis(2,4-difluoro-N-[5-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide);2,6-difluoro-N-[4-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;2,6-difluoro-N-[5-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;ethyl 5-[4-[(2,6-difluorobenzoyl)amino]phenyl]-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylate;2-fluoro-4-methyl-N-[4-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;dihydrochloride
SMILESCC(C)C1=C(c2ccc(NC(=O)c3c(F)cccc3F)cc2)CN(c2nccs2)CC1.CC(C)C1=C(c2cnc(NC(=O)c3c(F)cccc3F)cn2)CN(c2nccs2)CC1.CC1=C(c2cnc(NC(=O)c3c(F)cccc3F)cn2)CN(c2nn[nH]n2)CC1.CC1=C(c2cnc(NC(=O)c3c(F)cccc3F)cn2)CN(c2nnn(C)n2)CC1.CC1=C(c2cnc(NC(=O)c3ccc(F)cc3F)cn2)CN(c2nc(C)cs2)CC1.CC1=C(c2cnc(NC(=O)c3ccc(F)cc3F)cn2)CN(c2nccs2)CC1.CC1=C(c2cnc(NC(=O)c3ccc(F)cc3F)cn2)CN(c2nccs2)CC1.CCOC(=O)C1=C(c2ccc(NC(=O)c3c(F)cccc3F)cc2)CN(c2nccs2)CC1.Cc1ccc(C(=O)Nc2ccc(C3=C(C(C)C)CCN(c4nccs4)C3)cc2)c(F)c1.Cl.Cl
InChIInChI=1S/C25H26FN3OS.C24H21F2N3O3S.C24H23F2N3OS.C22H21F2N5OS.C21H19F2N5OS.2C20H17F2N5OS.C19H18F2N8O.C18H16F2N8O.2ClH/c1-16(2)20-10-12-29(25-27-11-13-31-25)15-22(20)18-5-7-19(8-6-18)28-24(30)21-9-4-17(3)14-23(21)26;1-2-32-23(31)17-10-12-29(24-27-11-13-33-24)14-18(17)15-6-8-16(9-7-15)28-22(30)21-19(25)4-3-5-20(21)26;1-15(2)18-10-12-29(24-27-11-13-31-24)14-19(18)16-6-8-17(9-7-16)28-23(30)22-20(25)4-3-5-21(22)26;1-13(2)14-6-8-29(22-25-7-9-31-22)12-15(14)18-10-27-19(11-26-18)28-21(30)20-16(23)4-3-5-17(20)24;1-12-5-6-28(21-26-13(2)11-30-21)10-16(12)18-8-25-19(9-24-18)27-20(29)15-4-3-14(22)7-17(15)23;2*1-12-4-6-27(20-23-5-7-29-20)11-15(12)17-9-25-18(10-24-17)26-19(28)14-3-2-13(21)8-16(14)22;1-11-6-7-29(19-25-27-28(2)26-19)10-12(11)15-8-23-16(9-22-15)24-18(30)17-13(20)4-3-5-14(17)21;1-10-5-6-28(18-24-26-27-25-18)9-11(10)14-7-22-15(8-21-14)23-17(29)16-12(19)3-2-4-13(16)20;;/h4-9,11,13-14,16H,10,12,15H2,1-3H3,(H,28,30);3-9,11,13H,2,10,12,14H2,1H3,(H,28,30);3-9,11,13,15H,10,12,14H2,1-2H3,(H,28,30);3-5,7,9-11,13H,6,8,12H2,1-2H3,(H,27,28,30);3-4,7-9,11H,5-6,10H2,1-2H3,(H,25,27,29);2*2-3,5,7-10H,4,6,11H2,1H3,(H,25,26,28);3-5,8-9H,6-7,10H2,1-2H3,(H,23,24,30);2-4,7-8H,5-6,9H2,1H3,(H,22,23,29)(H,24,25,26,27);2*1H
InChIKeyUTRRBNKZYFDHNR-UHFFFAOYSA-N
XLogP39.85
TPSA660.33 Ų
H-Bond Donors10
H-Bond Acceptors53
Rotatable Bonds41
Heavy Atoms275
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003924.21
LogP ≤ 539.85
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1053

Analyze 2,6-difluoro-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;2,4-difluoro-N-[5-[4-methyl-1-(4-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[4-methyl-1-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;bis(2,4-difluoro-N-[5-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide);2,6-difluoro-N-[4-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;2,6-difluoro-N-[5-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;ethyl 5-[4-[(2,6-difluorobenzoyl)amino]phenyl]-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylate;2-fluoro-4-methyl-N-[4-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;dihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;2,4-difluoro-N-[5-[4-methyl-1-(4-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[4-methyl-1-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;bis(2,4-difluoro-N-[5-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide);2,6-difluoro-N-[4-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;2,6-difluoro-N-[5-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;ethyl 5-[4-[(2,6-difluorobenzoyl)amino]phenyl]-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylate;2-fluoro-4-methyl-N-[4-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;dihydrochloride?
The IUPAC name of 2,6-difluoro-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;2,4-difluoro-N-[5-[4-methyl-1-(4-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[4-methyl-1-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;bis(2,4-difluoro-N-[5-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide);2,6-difluoro-N-[4-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;2,6-difluoro-N-[5-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;ethyl 5-[4-[(2,6-difluorobenzoyl)amino]phenyl]-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylate;2-fluoro-4-methyl-N-[4-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;dihydrochloride (CID 159970236) is 2,6-difluoro-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;2,4-difluoro-N-[5-[4-methyl-1-(4-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[4-methyl-1-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;bis(2,4-difluoro-N-[5-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide);2,6-difluoro-N-[4-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;2,6-difluoro-N-[5-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;ethyl 5-[4-[(2,6-difluorobenzoyl)amino]phenyl]-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylate;2-fluoro-4-methyl-N-[4-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;dihydrochloride.
What is the SMILES notation for 2,6-difluoro-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;2,4-difluoro-N-[5-[4-methyl-1-(4-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[4-methyl-1-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;bis(2,4-difluoro-N-[5-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide);2,6-difluoro-N-[4-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;2,6-difluoro-N-[5-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;ethyl 5-[4-[(2,6-difluorobenzoyl)amino]phenyl]-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylate;2-fluoro-4-methyl-N-[4-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;dihydrochloride?
The canonical SMILES for 2,6-difluoro-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;2,4-difluoro-N-[5-[4-methyl-1-(4-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[4-methyl-1-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;bis(2,4-difluoro-N-[5-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide);2,6-difluoro-N-[4-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;2,6-difluoro-N-[5-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;ethyl 5-[4-[(2,6-difluorobenzoyl)amino]phenyl]-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylate;2-fluoro-4-methyl-N-[4-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;dihydrochloride is CC(C)C1=C(c2ccc(NC(=O)c3c(F)cccc3F)cc2)CN(c2nccs2)CC1.CC(C)C1=C(c2cnc(NC(=O)c3c(F)cccc3F)cn2)CN(c2nccs2)CC1.CC1=C(c2cnc(NC(=O)c3c(F)cccc3F)cn2)CN(c2nn[nH]n2)CC1.CC1=C(c2cnc(NC(=O)c3c(F)cccc3F)cn2)CN(c2nnn(C)n2)CC1.CC1=C(c2cnc(NC(=O)c3ccc(F)cc3F)cn2)CN(c2nc(C)cs2)CC1.CC1=C(c2cnc(NC(=O)c3ccc(F)cc3F)cn2)CN(c2nccs2)CC1.CC1=C(c2cnc(NC(=O)c3ccc(F)cc3F)cn2)CN(c2nccs2)CC1.CCOC(=O)C1=C(c2ccc(NC(=O)c3c(F)cccc3F)cc2)CN(c2nccs2)CC1.Cc1ccc(C(=O)Nc2ccc(C3=C(C(C)C)CCN(c4nccs4)C3)cc2)c(F)c1.Cl.Cl.
What is the InChIKey of 2,6-difluoro-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;2,4-difluoro-N-[5-[4-methyl-1-(4-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[4-methyl-1-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;bis(2,4-difluoro-N-[5-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide);2,6-difluoro-N-[4-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;2,6-difluoro-N-[5-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;ethyl 5-[4-[(2,6-difluorobenzoyl)amino]phenyl]-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylate;2-fluoro-4-methyl-N-[4-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;dihydrochloride?
The InChIKey is UTRRBNKZYFDHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3OS.C24H21F2N3O3S.C24H23F2N3OS.C22H21F2N5OS.C21H19F2N5OS.2C20H17F2N5OS.C19H18F2N8O.C18H16F2N8O.2ClH/c1-16(2)20-10-12-29(25-27-11-13-31-25)15-22(20)18-5-7-19(8-6-18)28-24(30)21-9-4-17(3)14-23(21)26;1-2-32-23(31)17-10-12-29(24-27-11-13-33-24)14-18(17)15-6-8-16(9-7-15)28-22(30)21-19(25)4-3-5-20(21)26;1-15(2)18-10-12-29(24-27-11-13-31-24)14-19(18)16-6-8-17(9-7-16)28-23(30)22-20(25)4-3-5-21(22)26;1-13(2)14-6-8-29(22-25-7-9-31-22)12-15(14)18-10-27-19(11-26-18)28-21(30)20-16(23)4-3-5-17(20)24;1-12-5-6-28(21-26-13(2)11-30-21)10-16(12)18-8-25-19(9-24-18)27-20(29)15-4-3-14(22)7-17(15)23;2*1-12-4-6-27(20-23-5-7-29-20)11-15(12)17-9-25-18(10-24-17)26-19(28)14-3-2-13(21)8-16(14)22;1-11-6-7-29(19-25-27-28(2)26-19)10-12(11)15-8-23-16(9-22-15)24-18(30)17-13(20)4-3-5-14(17)21;1-10-5-6-28(18-24-26-27-25-18)9-11(10)14-7-22-15(8-21-14)23-17(29)16-12(19)3-2-4-13(16)20;;/h4-9,11,13-14,16H,10,12,15H2,1-3H3,(H,28,30);3-9,11,13H,2,10,12,14H2,1H3,(H,28,30);3-9,11,13,15H,10,12,14H2,1-2H3,(H,28,30);3-5,7,9-11,13H,6,8,12H2,1-2H3,(H,27,28,30);3-4,7-9,11H,5-6,10H2,1-2H3,(H,25,27,29);2*2-3,5,7-10H,4,6,11H2,1H3,(H,25,26,28);3-5,8-9H,6-7,10H2,1-2H3,(H,23,24,30);2-4,7-8H,5-6,9H2,1H3,(H,22,23,29)(H,24,25,26,27);2*1H.
What are the key properties of 2,6-difluoro-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;2,4-difluoro-N-[5-[4-methyl-1-(4-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[4-methyl-1-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;bis(2,4-difluoro-N-[5-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide);2,6-difluoro-N-[4-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;2,6-difluoro-N-[5-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;ethyl 5-[4-[(2,6-difluorobenzoyl)amino]phenyl]-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylate;2-fluoro-4-methyl-N-[4-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;dihydrochloride?
2,6-difluoro-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;2,4-difluoro-N-[5-[4-methyl-1-(4-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[4-methyl-1-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;bis(2,4-difluoro-N-[5-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide);2,6-difluoro-N-[4-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;2,6-difluoro-N-[5-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;ethyl 5-[4-[(2,6-difluorobenzoyl)amino]phenyl]-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylate;2-fluoro-4-methyl-N-[4-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;dihydrochloride has a molecular weight of 3924.21 g/mol, XLogP of 39.85, 41 rotatable bonds, 10 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;2,4-difluoro-N-[5-[4-methyl-1-(4-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[4-methyl-1-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;bis(2,4-difluoro-N-[5-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide);2,6-difluoro-N-[4-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;2,6-difluoro-N-[5-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;ethyl 5-[4-[(2,6-difluorobenzoyl)amino]phenyl]-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylate;2-fluoro-4-methyl-N-[4-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;dihydrochloride is sourced from PubChem (CID 159970236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).