N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide;2-(difluoromethyl)-N-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]pyridine-3-carboxamide;2-(3-fluoro-1-methylpyrazol-4-yl)-N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide;N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide;N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-(2-methylpyrimidin-5-yl)prop-2-enamide

C159H201F27N26O11 — CID 157059145

IUPACN-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide;2-(difluoromethyl)-N-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]pyridine-3-carboxamide;2-(3-fluoro-1-methylpyrazol-4-yl)-N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide;N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide;N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-(2-methylpyrimidin-5-yl)prop-2-enamide
SMILESCC(F)(F)COc1ccc2c(n1)CCN(CCC1(F)CCC(NC(=O)c3cccnc3C(F)F)CC1)CC2.Cc1cc(CC(=O)NC2CCC(F)(CCN3CCc4ccc(CCC(F)(F)F)nc4CC3)CC2)on1.Cc1cc(OCC(=O)NC2CCC(F)(CCN3CCc4ccc(CCC(F)(F)F)nc4CC3)CC2)no1.Cc1ncc(C=CC(=O)NC2CCC(F)(CCN3CCc4ccc(CCC(F)(F)F)nc4CC3)CC2)cn1.Cn1cc(CC(=O)NC2CCC(F)(CCN3CCc4ccc(CCC(F)(F)F)nc4CC3)CC2)c(F)n1.O=C(NC1CCC(F)(CCN2CCc3ccc(OCC(F)F)nc3CC2)CC1)c1cccnc1C(F)F
InChIInChI=1S/C28H35F4N5O.C27H33F5N4O2.C26H34F5N5O.C26H31F5N4O2.C26H34F4N4O3.C26H34F4N4O2/c1-20-33-18-21(19-34-20)2-5-26(38)36-24-6-11-27(29,12-7-24)14-17-37-15-9-22-3-4-23(8-13-28(30,31)32)35-25(22)10-16-37;1-26(30,31)17-38-22-5-4-18-8-14-36(15-9-21(18)35-22)16-12-27(32)10-6-19(7-11-27)34-25(37)20-3-2-13-33-23(20)24(28)29;1-35-17-19(24(27)34-35)16-23(37)33-21-4-9-25(28,10-5-21)12-15-36-13-7-18-2-3-20(6-11-26(29,30)31)32-22(18)8-14-36;27-21(28)16-37-22-4-3-17-7-13-35(14-8-20(17)34-22)15-11-26(31)9-5-18(6-10-26)33-25(36)19-2-1-12-32-23(19)24(29)30;1-18-16-24(33-37-18)36-17-23(35)32-21-4-9-25(27,10-5-21)12-15-34-13-7-19-2-3-20(6-11-26(28,29)30)31-22(19)8-14-34;1-18-16-22(36-33-18)17-24(35)32-21-4-9-25(27,10-5-21)12-15-34-13-7-19-2-3-20(6-11-26(28,29)30)31-23(19)8-14-34/h2-5,18-19,24H,6-17H2,1H3,(H,36,38);2-5,13,19,24H,6-12,14-17H2,1H3,(H,34,37);2-3,17,21H,4-16H2,1H3,(H,33,37);1-4,12,18,21,24H,5-11,13-16H2,(H,33,36);2-3,16,21H,4-15,17H2,1H3,(H,32,35);2-3,16,21H,4-15,17H2,1H3,(H,32,35)
InChIKeyABCQVCHALJMWCZ-UHFFFAOYSA-N
MW3165.47 g/mol
LogP28.63
Rot. Bonds51

About N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide;2-(difluoromethyl)-N-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]pyridine-3-carboxamide;2-(3-fluoro-1-methylpyrazol-4-yl)-N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide;N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide;N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-(2-methylpyrimidin-5-yl)prop-2-enamide

N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide;2-(difluoromethyl)-N-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]pyridine-3-carboxamide;2-(3-fluoro-1-methylpyrazol-4-yl)-N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide;N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide;N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-(2-methylpyrimidin-5-yl)prop-2-enamide (PubChem CID 157059145) has the molecular formula C159H201F27N26O11 and a molecular weight of 3165.47 g/mol. Its IUPAC name is N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide;2-(difluoromethyl)-N-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]pyridine-3-carboxamide;2-(3-fluoro-1-methylpyrazol-4-yl)-N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide;N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide;N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-(2-methylpyrimidin-5-yl)prop-2-enamide.

Molecular Properties

Compound NameN-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide;2-(difluoromethyl)-N-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]pyridine-3-carboxamide;2-(3-fluoro-1-methylpyrazol-4-yl)-N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide;N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide;N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-(2-methylpyrimidin-5-yl)prop-2-enamide
PubChem CID157059145
Molecular FormulaC159H201F27N26O11
Molecular Weight3165.47 g/mol
Exact Mass3163.55
IUPAC NameN-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide;2-(difluoromethyl)-N-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]pyridine-3-carboxamide;2-(3-fluoro-1-methylpyrazol-4-yl)-N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide;N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide;N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-(2-methylpyrimidin-5-yl)prop-2-enamide
SMILESCC(F)(F)COc1ccc2c(n1)CCN(CCC1(F)CCC(NC(=O)c3cccnc3C(F)F)CC1)CC2.Cc1cc(CC(=O)NC2CCC(F)(CCN3CCc4ccc(CCC(F)(F)F)nc4CC3)CC2)on1.Cc1cc(OCC(=O)NC2CCC(F)(CCN3CCc4ccc(CCC(F)(F)F)nc4CC3)CC2)no1.Cc1ncc(C=CC(=O)NC2CCC(F)(CCN3CCc4ccc(CCC(F)(F)F)nc4CC3)CC2)cn1.Cn1cc(CC(=O)NC2CCC(F)(CCN3CCc4ccc(CCC(F)(F)F)nc4CC3)CC2)c(F)n1.O=C(NC1CCC(F)(CCN2CCc3ccc(OCC(F)F)nc3CC2)CC1)c1cccnc1C(F)F
InChIInChI=1S/C28H35F4N5O.C27H33F5N4O2.C26H34F5N5O.C26H31F5N4O2.C26H34F4N4O3.C26H34F4N4O2/c1-20-33-18-21(19-34-20)2-5-26(38)36-24-6-11-27(29,12-7-24)14-17-37-15-9-22-3-4-23(8-13-28(30,31)32)35-25(22)10-16-37;1-26(30,31)17-38-22-5-4-18-8-14-36(15-9-21(18)35-22)16-12-27(32)10-6-19(7-11-27)34-25(37)20-3-2-13-33-23(20)24(28)29;1-35-17-19(24(27)34-35)16-23(37)33-21-4-9-25(28,10-5-21)12-15-36-13-7-18-2-3-20(6-11-26(29,30)31)32-22(18)8-14-36;27-21(28)16-37-22-4-3-17-7-13-35(14-8-20(17)34-22)15-11-26(31)9-5-18(6-10-26)33-25(36)19-2-1-12-32-23(19)24(29)30;1-18-16-24(33-37-18)36-17-23(35)32-21-4-9-25(27,10-5-21)12-15-34-13-7-19-2-3-20(6-11-26(28,29)30)31-22(19)8-14-34;1-18-16-22(36-33-18)17-24(35)32-21-4-9-25(27,10-5-21)12-15-34-13-7-19-2-3-20(6-11-26(28,29)30)31-23(19)8-14-34/h2-5,18-19,24H,6-17H2,1H3,(H,36,38);2-5,13,19,24H,6-12,14-17H2,1H3,(H,34,37);2-3,17,21H,4-16H2,1H3,(H,33,37);1-4,12,18,21,24H,5-11,13-16H2,(H,33,36);2-3,16,21H,4-15,17H2,1H3,(H,32,35);2-3,16,21H,4-15,17H2,1H3,(H,32,35)
InChIKeyABCQVCHALJMWCZ-UHFFFAOYSA-N
XLogP28.63
TPSA420.51 Ų
H-Bond Donors6
H-Bond Acceptors31
Rotatable Bonds51
Heavy Atoms223
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003165.47
LogP ≤ 528.63
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide;2-(difluoromethyl)-N-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]pyridine-3-carboxamide;2-(3-fluoro-1-methylpyrazol-4-yl)-N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide;N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide;N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-(2-methylpyrimidin-5-yl)prop-2-enamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide;2-(difluoromethyl)-N-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]pyridine-3-carboxamide;2-(3-fluoro-1-methylpyrazol-4-yl)-N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide;N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide;N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-(2-methylpyrimidin-5-yl)prop-2-enamide?
The IUPAC name of N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide;2-(difluoromethyl)-N-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]pyridine-3-carboxamide;2-(3-fluoro-1-methylpyrazol-4-yl)-N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide;N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide;N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-(2-methylpyrimidin-5-yl)prop-2-enamide (CID 157059145) is N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide;2-(difluoromethyl)-N-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]pyridine-3-carboxamide;2-(3-fluoro-1-methylpyrazol-4-yl)-N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide;N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide;N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-(2-methylpyrimidin-5-yl)prop-2-enamide.
What is the SMILES notation for N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide;2-(difluoromethyl)-N-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]pyridine-3-carboxamide;2-(3-fluoro-1-methylpyrazol-4-yl)-N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide;N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide;N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-(2-methylpyrimidin-5-yl)prop-2-enamide?
The canonical SMILES for N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide;2-(difluoromethyl)-N-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]pyridine-3-carboxamide;2-(3-fluoro-1-methylpyrazol-4-yl)-N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide;N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide;N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-(2-methylpyrimidin-5-yl)prop-2-enamide is CC(F)(F)COc1ccc2c(n1)CCN(CCC1(F)CCC(NC(=O)c3cccnc3C(F)F)CC1)CC2.Cc1cc(CC(=O)NC2CCC(F)(CCN3CCc4ccc(CCC(F)(F)F)nc4CC3)CC2)on1.Cc1cc(OCC(=O)NC2CCC(F)(CCN3CCc4ccc(CCC(F)(F)F)nc4CC3)CC2)no1.Cc1ncc(C=CC(=O)NC2CCC(F)(CCN3CCc4ccc(CCC(F)(F)F)nc4CC3)CC2)cn1.Cn1cc(CC(=O)NC2CCC(F)(CCN3CCc4ccc(CCC(F)(F)F)nc4CC3)CC2)c(F)n1.O=C(NC1CCC(F)(CCN2CCc3ccc(OCC(F)F)nc3CC2)CC1)c1cccnc1C(F)F.
What is the InChIKey of N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide;2-(difluoromethyl)-N-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]pyridine-3-carboxamide;2-(3-fluoro-1-methylpyrazol-4-yl)-N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide;N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide;N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-(2-methylpyrimidin-5-yl)prop-2-enamide?
The InChIKey is ABCQVCHALJMWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35F4N5O.C27H33F5N4O2.C26H34F5N5O.C26H31F5N4O2.C26H34F4N4O3.C26H34F4N4O2/c1-20-33-18-21(19-34-20)2-5-26(38)36-24-6-11-27(29,12-7-24)14-17-37-15-9-22-3-4-23(8-13-28(30,31)32)35-25(22)10-16-37;1-26(30,31)17-38-22-5-4-18-8-14-36(15-9-21(18)35-22)16-12-27(32)10-6-19(7-11-27)34-25(37)20-3-2-13-33-23(20)24(28)29;1-35-17-19(24(27)34-35)16-23(37)33-21-4-9-25(28,10-5-21)12-15-36-13-7-18-2-3-20(6-11-26(29,30)31)32-22(18)8-14-36;27-21(28)16-37-22-4-3-17-7-13-35(14-8-20(17)34-22)15-11-26(31)9-5-18(6-10-26)33-25(36)19-2-1-12-32-23(19)24(29)30;1-18-16-24(33-37-18)36-17-23(35)32-21-4-9-25(27,10-5-21)12-15-34-13-7-19-2-3-20(6-11-26(28,29)30)31-22(19)8-14-34;1-18-16-22(36-33-18)17-24(35)32-21-4-9-25(27,10-5-21)12-15-34-13-7-19-2-3-20(6-11-26(28,29)30)31-23(19)8-14-34/h2-5,18-19,24H,6-17H2,1H3,(H,36,38);2-5,13,19,24H,6-12,14-17H2,1H3,(H,34,37);2-3,17,21H,4-16H2,1H3,(H,33,37);1-4,12,18,21,24H,5-11,13-16H2,(H,33,36);2-3,16,21H,4-15,17H2,1H3,(H,32,35);2-3,16,21H,4-15,17H2,1H3,(H,32,35).
What are the key properties of N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide;2-(difluoromethyl)-N-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]pyridine-3-carboxamide;2-(3-fluoro-1-methylpyrazol-4-yl)-N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide;N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide;N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-(2-methylpyrimidin-5-yl)prop-2-enamide?
N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide;2-(difluoromethyl)-N-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]pyridine-3-carboxamide;2-(3-fluoro-1-methylpyrazol-4-yl)-N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide;N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide;N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-(2-methylpyrimidin-5-yl)prop-2-enamide has a molecular weight of 3165.47 g/mol, XLogP of 28.63, 51 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide;2-(difluoromethyl)-N-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]pyridine-3-carboxamide;2-(3-fluoro-1-methylpyrazol-4-yl)-N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide;N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide;N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-(2-methylpyrimidin-5-yl)prop-2-enamide is sourced from PubChem (CID 157059145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).