N-[4-[2-(2-butan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(2-methyltriazol-4-yl)acetamide;N-[4-[2-(2-butan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide;N-[4-[2-[2-(1,1-difluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide;2-(2-methylpyrimidin-5-yl)oxy-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide;2-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide;2-(2-methyltriazol-4-yl)-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide

C184H252F16N36O15S2 — CID 160559549

IUPACN-[4-[2-(2-butan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(2-methyltriazol-4-yl)acetamide;N-[4-[2-(2-butan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide;N-[4-[2-[2-(1,1-difluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide;2-(2-methylpyrimidin-5-yl)oxy-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide;2-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide;2-(2-methyltriazol-4-yl)-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide
SMILESCC(Oc1ccc2c(n1)CCN(CCC1CCC(NC(=O)Cc3cnn(C)n3)CC1)CC2)C(F)(F)F.CC(Oc1ccc2c(n1)CCN(CCC1CCC(NC(=O)c3cccc4nn(C)cc34)CC1)CC2)C(F)F.CCC(C)Oc1ccc2c(n1)CCN(CCC1(F)CCC(NC(=O)Cc3nnc(C)s3)CC1)CC2.CCC(C)Oc1ccc2c(n1)CCN(CCC1CCC(NC(=O)Cc3cnn(C)n3)CC1)CC2.Cc1ncc(OCC(=O)NC2CCC(CCN3CCc4ccc(OC(C)C(F)(F)F)nc4CC3)CC2)cn1.Cc1nnc(CC(=O)NC2CCC(CCN3CCc4ccc(OC(C)C(F)(F)F)nc4CC3)CC2)s1.O=C(NC1CCC(CCN2CCc3ccc(OCC(F)F)nc3CC2)CC1)c1cccnc1C(F)F
InChIInChI=1S/C29H37F2N5O2.C27H36F3N5O3.C26H32F4N4O2.C26H38FN5O2S.C26H40N6O2.C25H35F3N6O2.C25H34F3N5O2S/c1-19(28(30)31)38-27-11-8-21-13-16-36(17-14-25(21)33-27)15-12-20-6-9-22(10-7-20)32-29(37)23-4-3-5-26-24(23)18-35(2)34-26;1-18(27(28,29)30)38-26-8-5-21-10-13-35(14-11-24(21)34-26)12-9-20-3-6-22(7-4-20)33-25(36)17-37-23-15-31-19(2)32-16-23;27-22(28)16-36-23-8-5-18-10-14-34(15-11-21(18)33-23)13-9-17-3-6-19(7-4-17)32-26(35)20-2-1-12-31-24(20)25(29)30;1-4-18(2)34-24-6-5-20-9-14-32(15-10-22(20)29-24)16-13-26(27)11-7-21(8-12-26)28-23(33)17-25-31-30-19(3)35-25;1-4-19(2)34-26-10-7-21-12-15-32(16-13-24(21)29-26)14-11-20-5-8-22(9-6-20)28-25(33)17-23-18-27-31(3)30-23;1-17(25(26,27)28)36-24-8-5-19-10-13-34(14-11-22(19)31-24)12-9-18-3-6-20(7-4-18)30-23(35)15-21-16-29-33(2)32-21;1-16(25(26,27)28)35-23-8-5-19-10-13-33(14-11-21(19)30-23)12-9-18-3-6-20(7-4-18)29-22(34)15-24-32-31-17(2)36-24/h3-5,8,11,18-20,22,28H,6-7,9-10,12-17H2,1-2H3,(H,32,37);5,8,15-16,18,20,22H,3-4,6-7,9-14,17H2,1-2H3,(H,33,36);1-2,5,8,12,17,19,22,25H,3-4,6-7,9-11,13-16H2,(H,32,35);5-6,18,21H,4,7-17H2,1-3H3,(H,28,33);7,10,18-20,22H,4-6,8-9,11-17H2,1-3H3,(H,28,33);5,8,16-18,20H,3-4,6-7,9-15H2,1-2H3,(H,30,35);5,8,16,18,20H,3-4,6-7,9-15H2,1-2H3,(H,29,34)
InChIKeyQZCWNSUMCNEUQH-UHFFFAOYSA-N
MW3576.38 g/mol
LogP28.51
Rot. Bonds60

About N-[4-[2-(2-butan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(2-methyltriazol-4-yl)acetamide;N-[4-[2-(2-butan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide;N-[4-[2-[2-(1,1-difluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide;2-(2-methylpyrimidin-5-yl)oxy-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide;2-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide;2-(2-methyltriazol-4-yl)-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide

N-[4-[2-(2-butan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(2-methyltriazol-4-yl)acetamide;N-[4-[2-(2-butan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide;N-[4-[2-[2-(1,1-difluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide;2-(2-methylpyrimidin-5-yl)oxy-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide;2-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide;2-(2-methyltriazol-4-yl)-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide (PubChem CID 160559549) has the molecular formula C184H252F16N36O15S2 and a molecular weight of 3576.38 g/mol. Its IUPAC name is N-[4-[2-(2-butan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(2-methyltriazol-4-yl)acetamide;N-[4-[2-(2-butan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide;N-[4-[2-[2-(1,1-difluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide;2-(2-methylpyrimidin-5-yl)oxy-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide;2-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide;2-(2-methyltriazol-4-yl)-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(2-butan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(2-methyltriazol-4-yl)acetamide;N-[4-[2-(2-butan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide;N-[4-[2-[2-(1,1-difluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide;2-(2-methylpyrimidin-5-yl)oxy-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide;2-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide;2-(2-methyltriazol-4-yl)-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide
PubChem CID160559549
Molecular FormulaC184H252F16N36O15S2
Molecular Weight3576.38 g/mol
Exact Mass3573.92
IUPAC NameN-[4-[2-(2-butan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(2-methyltriazol-4-yl)acetamide;N-[4-[2-(2-butan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide;N-[4-[2-[2-(1,1-difluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide;2-(2-methylpyrimidin-5-yl)oxy-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide;2-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide;2-(2-methyltriazol-4-yl)-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide
SMILESCC(Oc1ccc2c(n1)CCN(CCC1CCC(NC(=O)Cc3cnn(C)n3)CC1)CC2)C(F)(F)F.CC(Oc1ccc2c(n1)CCN(CCC1CCC(NC(=O)c3cccc4nn(C)cc34)CC1)CC2)C(F)F.CCC(C)Oc1ccc2c(n1)CCN(CCC1(F)CCC(NC(=O)Cc3nnc(C)s3)CC1)CC2.CCC(C)Oc1ccc2c(n1)CCN(CCC1CCC(NC(=O)Cc3cnn(C)n3)CC1)CC2.Cc1ncc(OCC(=O)NC2CCC(CCN3CCc4ccc(OC(C)C(F)(F)F)nc4CC3)CC2)cn1.Cc1nnc(CC(=O)NC2CCC(CCN3CCc4ccc(OC(C)C(F)(F)F)nc4CC3)CC2)s1.O=C(NC1CCC(CCN2CCc3ccc(OCC(F)F)nc3CC2)CC1)c1cccnc1C(F)F
InChIInChI=1S/C29H37F2N5O2.C27H36F3N5O3.C26H32F4N4O2.C26H38FN5O2S.C26H40N6O2.C25H35F3N6O2.C25H34F3N5O2S/c1-19(28(30)31)38-27-11-8-21-13-16-36(17-14-25(21)33-27)15-12-20-6-9-22(10-7-20)32-29(37)23-4-3-5-26-24(23)18-35(2)34-26;1-18(27(28,29)30)38-26-8-5-21-10-13-35(14-11-24(21)34-26)12-9-20-3-6-22(7-4-20)33-25(36)17-37-23-15-31-19(2)32-16-23;27-22(28)16-36-23-8-5-18-10-14-34(15-11-21(18)33-23)13-9-17-3-6-19(7-4-17)32-26(35)20-2-1-12-31-24(20)25(29)30;1-4-18(2)34-24-6-5-20-9-14-32(15-10-22(20)29-24)16-13-26(27)11-7-21(8-12-26)28-23(33)17-25-31-30-19(3)35-25;1-4-19(2)34-26-10-7-21-12-15-32(16-13-24(21)29-26)14-11-20-5-8-22(9-6-20)28-25(33)17-23-18-27-31(3)30-23;1-17(25(26,27)28)36-24-8-5-19-10-13-34(14-11-22(19)31-24)12-9-18-3-6-20(7-4-18)30-23(35)15-21-16-29-33(2)32-21;1-16(25(26,27)28)35-23-8-5-19-10-13-33(14-11-21(19)30-23)12-9-18-3-6-20(7-4-18)29-22(34)15-24-32-31-17(2)36-24/h3-5,8,11,18-20,22,28H,6-7,9-10,12-17H2,1-2H3,(H,32,37);5,8,15-16,18,20,22H,3-4,6-7,9-14,17H2,1-2H3,(H,33,36);1-2,5,8,12,17,19,22,25H,3-4,6-7,9-11,13-16H2,(H,32,35);5-6,18,21H,4,7-17H2,1-3H3,(H,28,33);7,10,18-20,22H,4-6,8-9,11-17H2,1-3H3,(H,28,33);5,8,16-18,20H,3-4,6-7,9-15H2,1-2H3,(H,30,35);5,8,16,18,20H,3-4,6-7,9-15H2,1-2H3,(H,29,34)
InChIKeyQZCWNSUMCNEUQH-UHFFFAOYSA-N
XLogP28.51
TPSA559.92 Ų
H-Bond Donors7
H-Bond Acceptors46
Rotatable Bonds60
Heavy Atoms253
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003576.38
LogP ≤ 528.51
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1046

Analyze N-[4-[2-(2-butan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(2-methyltriazol-4-yl)acetamide;N-[4-[2-(2-butan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide;N-[4-[2-[2-(1,1-difluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide;2-(2-methylpyrimidin-5-yl)oxy-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide;2-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide;2-(2-methyltriazol-4-yl)-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-butan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(2-methyltriazol-4-yl)acetamide;N-[4-[2-(2-butan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide;N-[4-[2-[2-(1,1-difluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide;2-(2-methylpyrimidin-5-yl)oxy-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide;2-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide;2-(2-methyltriazol-4-yl)-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide?
The IUPAC name of N-[4-[2-(2-butan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(2-methyltriazol-4-yl)acetamide;N-[4-[2-(2-butan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide;N-[4-[2-[2-(1,1-difluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide;2-(2-methylpyrimidin-5-yl)oxy-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide;2-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide;2-(2-methyltriazol-4-yl)-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide (CID 160559549) is N-[4-[2-(2-butan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(2-methyltriazol-4-yl)acetamide;N-[4-[2-(2-butan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide;N-[4-[2-[2-(1,1-difluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide;2-(2-methylpyrimidin-5-yl)oxy-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide;2-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide;2-(2-methyltriazol-4-yl)-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[2-(2-butan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(2-methyltriazol-4-yl)acetamide;N-[4-[2-(2-butan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide;N-[4-[2-[2-(1,1-difluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide;2-(2-methylpyrimidin-5-yl)oxy-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide;2-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide;2-(2-methyltriazol-4-yl)-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[2-(2-butan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(2-methyltriazol-4-yl)acetamide;N-[4-[2-(2-butan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide;N-[4-[2-[2-(1,1-difluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide;2-(2-methylpyrimidin-5-yl)oxy-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide;2-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide;2-(2-methyltriazol-4-yl)-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide is CC(Oc1ccc2c(n1)CCN(CCC1CCC(NC(=O)Cc3cnn(C)n3)CC1)CC2)C(F)(F)F.CC(Oc1ccc2c(n1)CCN(CCC1CCC(NC(=O)c3cccc4nn(C)cc34)CC1)CC2)C(F)F.CCC(C)Oc1ccc2c(n1)CCN(CCC1(F)CCC(NC(=O)Cc3nnc(C)s3)CC1)CC2.CCC(C)Oc1ccc2c(n1)CCN(CCC1CCC(NC(=O)Cc3cnn(C)n3)CC1)CC2.Cc1ncc(OCC(=O)NC2CCC(CCN3CCc4ccc(OC(C)C(F)(F)F)nc4CC3)CC2)cn1.Cc1nnc(CC(=O)NC2CCC(CCN3CCc4ccc(OC(C)C(F)(F)F)nc4CC3)CC2)s1.O=C(NC1CCC(CCN2CCc3ccc(OCC(F)F)nc3CC2)CC1)c1cccnc1C(F)F.
What is the InChIKey of N-[4-[2-(2-butan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(2-methyltriazol-4-yl)acetamide;N-[4-[2-(2-butan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide;N-[4-[2-[2-(1,1-difluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide;2-(2-methylpyrimidin-5-yl)oxy-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide;2-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide;2-(2-methyltriazol-4-yl)-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide?
The InChIKey is QZCWNSUMCNEUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37F2N5O2.C27H36F3N5O3.C26H32F4N4O2.C26H38FN5O2S.C26H40N6O2.C25H35F3N6O2.C25H34F3N5O2S/c1-19(28(30)31)38-27-11-8-21-13-16-36(17-14-25(21)33-27)15-12-20-6-9-22(10-7-20)32-29(37)23-4-3-5-26-24(23)18-35(2)34-26;1-18(27(28,29)30)38-26-8-5-21-10-13-35(14-11-24(21)34-26)12-9-20-3-6-22(7-4-20)33-25(36)17-37-23-15-31-19(2)32-16-23;27-22(28)16-36-23-8-5-18-10-14-34(15-11-21(18)33-23)13-9-17-3-6-19(7-4-17)32-26(35)20-2-1-12-31-24(20)25(29)30;1-4-18(2)34-24-6-5-20-9-14-32(15-10-22(20)29-24)16-13-26(27)11-7-21(8-12-26)28-23(33)17-25-31-30-19(3)35-25;1-4-19(2)34-26-10-7-21-12-15-32(16-13-24(21)29-26)14-11-20-5-8-22(9-6-20)28-25(33)17-23-18-27-31(3)30-23;1-17(25(26,27)28)36-24-8-5-19-10-13-34(14-11-22(19)31-24)12-9-18-3-6-20(7-4-18)30-23(35)15-21-16-29-33(2)32-21;1-16(25(26,27)28)35-23-8-5-19-10-13-33(14-11-21(19)30-23)12-9-18-3-6-20(7-4-18)29-22(34)15-24-32-31-17(2)36-24/h3-5,8,11,18-20,22,28H,6-7,9-10,12-17H2,1-2H3,(H,32,37);5,8,15-16,18,20,22H,3-4,6-7,9-14,17H2,1-2H3,(H,33,36);1-2,5,8,12,17,19,22,25H,3-4,6-7,9-11,13-16H2,(H,32,35);5-6,18,21H,4,7-17H2,1-3H3,(H,28,33);7,10,18-20,22H,4-6,8-9,11-17H2,1-3H3,(H,28,33);5,8,16-18,20H,3-4,6-7,9-15H2,1-2H3,(H,30,35);5,8,16,18,20H,3-4,6-7,9-15H2,1-2H3,(H,29,34).
What are the key properties of N-[4-[2-(2-butan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(2-methyltriazol-4-yl)acetamide;N-[4-[2-(2-butan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide;N-[4-[2-[2-(1,1-difluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide;2-(2-methylpyrimidin-5-yl)oxy-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide;2-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide;2-(2-methyltriazol-4-yl)-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide?
N-[4-[2-(2-butan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(2-methyltriazol-4-yl)acetamide;N-[4-[2-(2-butan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide;N-[4-[2-[2-(1,1-difluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide;2-(2-methylpyrimidin-5-yl)oxy-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide;2-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide;2-(2-methyltriazol-4-yl)-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide has a molecular weight of 3576.38 g/mol, XLogP of 28.51, 60 rotatable bonds, 7 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-butan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(2-methyltriazol-4-yl)acetamide;N-[4-[2-(2-butan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide;N-[4-[2-[2-(1,1-difluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide;2-(2-methylpyrimidin-5-yl)oxy-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide;2-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide;2-(2-methyltriazol-4-yl)-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide is sourced from PubChem (CID 160559549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).