1-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-one;1-[4-fluoro-4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-[(5-methyl-1,2-oxazol-3-yl)oxy]propan-2-one;1-[4-fluoro-4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-(1-methylpyrazol-4-yl)propan-2-one;1-(3-methoxy-1,2-oxazol-5-yl)-3-[4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]propan-2-one;1-(5-methyl-1,2,4-oxadiazol-3-yl)-3-[(3R,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]oxan-3-yl]propan-2-one

C128H168F16N18O17 — CID 157091132

IUPAC1-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-one;1-[4-fluoro-4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-[(5-methyl-1,2-oxazol-3-yl)oxy]propan-2-one;1-[4-fluoro-4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-(1-methylpyrazol-4-yl)propan-2-one;1-(3-methoxy-1,2-oxazol-5-yl)-3-[4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]propan-2-one;1-(5-methyl-1,2,4-oxadiazol-3-yl)-3-[(3R,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]oxan-3-yl]propan-2-one
SMILESCOc1cc(CC(=O)CC2CCC(CCN3CCc4ccc(OCC(F)(F)F)nc4CC3)CC2)on1.Cc1cc(OCC(=O)CC2CCC(F)(CCN3CCc4ccc(OCC(F)(F)F)nc4CC3)CC2)no1.Cc1nc(CC(=O)CC2CCC(CCN3CCc4ccc(OCC(C)(F)F)nc4CC3)CC2)no1.Cc1nc(CC(=O)C[C@H]2CC[C@H](CCN3CCc4ccc(OCC(F)(F)F)nc4CC3)OC2)no1.Cn1cc(CC(=O)CC2CCC(F)(CCN3CCc4ccc(OCC(F)(F)F)nc4CC3)CC2)cn1
InChIInChI=1S/C26H34F4N4O2.C26H33F4N3O4.C26H34F3N3O4.C26H36F2N4O3.C24H31F3N4O4/c1-33-17-20(16-31-33)15-22(35)14-19-4-8-25(27,9-5-19)10-13-34-11-6-21-2-3-24(32-23(21)7-12-34)36-18-26(28,29)30;1-18-14-24(32-37-18)35-16-21(34)15-19-4-8-25(27,9-5-19)10-13-33-11-6-20-2-3-23(31-22(20)7-12-33)36-17-26(28,29)30;1-34-25-16-22(36-31-25)15-21(33)14-19-4-2-18(3-5-19)8-11-32-12-9-20-6-7-24(30-23(20)10-13-32)35-17-26(27,28)29;1-18-29-24(31-35-18)16-22(33)15-20-5-3-19(4-6-20)9-12-32-13-10-21-7-8-25(30-23(21)11-14-32)34-17-26(2,27)28;1-16-28-22(30-35-16)13-19(32)12-17-2-4-20(33-14-17)7-10-31-9-6-18-3-5-23(29-21(18)8-11-31)34-15-24(25,26)27/h2-3,16-17,19H,4-15,18H2,1H3;2-3,14,19H,4-13,15-17H2,1H3;6-7,16,18-19H,2-5,8-15,17H2,1H3;7-8,19-20H,3-6,9-17H2,1-2H3;3,5,17,20H,2,4,6-15H2,1H3/t;;;;17-,20-/m....1/s1
InChIKeyAERGHBIXYHWXPD-SPSFPWLASA-N
MW2534.83 g/mol
LogP22.62
Rot. Bonds48

About 1-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-one;1-[4-fluoro-4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-[(5-methyl-1,2-oxazol-3-yl)oxy]propan-2-one;1-[4-fluoro-4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-(1-methylpyrazol-4-yl)propan-2-one;1-(3-methoxy-1,2-oxazol-5-yl)-3-[4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]propan-2-one;1-(5-methyl-1,2,4-oxadiazol-3-yl)-3-[(3R,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]oxan-3-yl]propan-2-one

1-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-one;1-[4-fluoro-4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-[(5-methyl-1,2-oxazol-3-yl)oxy]propan-2-one;1-[4-fluoro-4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-(1-methylpyrazol-4-yl)propan-2-one;1-(3-methoxy-1,2-oxazol-5-yl)-3-[4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]propan-2-one;1-(5-methyl-1,2,4-oxadiazol-3-yl)-3-[(3R,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]oxan-3-yl]propan-2-one (PubChem CID 157091132) has the molecular formula C128H168F16N18O17 and a molecular weight of 2534.83 g/mol. Its IUPAC name is 1-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-one;1-[4-fluoro-4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-[(5-methyl-1,2-oxazol-3-yl)oxy]propan-2-one;1-[4-fluoro-4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-(1-methylpyrazol-4-yl)propan-2-one;1-(3-methoxy-1,2-oxazol-5-yl)-3-[4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]propan-2-one;1-(5-methyl-1,2,4-oxadiazol-3-yl)-3-[(3R,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]oxan-3-yl]propan-2-one.

Molecular Properties

Compound Name1-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-one;1-[4-fluoro-4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-[(5-methyl-1,2-oxazol-3-yl)oxy]propan-2-one;1-[4-fluoro-4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-(1-methylpyrazol-4-yl)propan-2-one;1-(3-methoxy-1,2-oxazol-5-yl)-3-[4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]propan-2-one;1-(5-methyl-1,2,4-oxadiazol-3-yl)-3-[(3R,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]oxan-3-yl]propan-2-one
PubChem CID157091132
Molecular FormulaC128H168F16N18O17
Molecular Weight2534.83 g/mol
Exact Mass2533.26
IUPAC Name1-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-one;1-[4-fluoro-4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-[(5-methyl-1,2-oxazol-3-yl)oxy]propan-2-one;1-[4-fluoro-4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-(1-methylpyrazol-4-yl)propan-2-one;1-(3-methoxy-1,2-oxazol-5-yl)-3-[4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]propan-2-one;1-(5-methyl-1,2,4-oxadiazol-3-yl)-3-[(3R,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]oxan-3-yl]propan-2-one
SMILESCOc1cc(CC(=O)CC2CCC(CCN3CCc4ccc(OCC(F)(F)F)nc4CC3)CC2)on1.Cc1cc(OCC(=O)CC2CCC(F)(CCN3CCc4ccc(OCC(F)(F)F)nc4CC3)CC2)no1.Cc1nc(CC(=O)CC2CCC(CCN3CCc4ccc(OCC(C)(F)F)nc4CC3)CC2)no1.Cc1nc(CC(=O)C[C@H]2CC[C@H](CCN3CCc4ccc(OCC(F)(F)F)nc4CC3)OC2)no1.Cn1cc(CC(=O)CC2CCC(F)(CCN3CCc4ccc(OCC(F)(F)F)nc4CC3)CC2)cn1
InChIInChI=1S/C26H34F4N4O2.C26H33F4N3O4.C26H34F3N3O4.C26H36F2N4O3.C24H31F3N4O4/c1-33-17-20(16-31-33)15-22(35)14-19-4-8-25(27,9-5-19)10-13-34-11-6-21-2-3-24(32-23(21)7-12-34)36-18-26(28,29)30;1-18-14-24(32-37-18)35-16-21(34)15-19-4-8-25(27,9-5-19)10-13-33-11-6-20-2-3-23(31-22(20)7-12-33)36-17-26(28,29)30;1-34-25-16-22(36-31-25)15-21(33)14-19-4-2-18(3-5-19)8-11-32-12-9-20-6-7-24(30-23(20)10-13-32)35-17-26(27,28)29;1-18-29-24(31-35-18)16-22(33)15-20-5-3-19(4-6-20)9-12-32-13-10-21-7-8-25(30-23(21)11-14-32)34-17-26(2,27)28;1-16-28-22(30-35-16)13-19(32)12-17-2-4-20(33-14-17)7-10-31-9-6-18-3-5-23(29-21(18)8-11-31)34-15-24(25,26)27/h2-3,16-17,19H,4-15,18H2,1H3;2-3,14,19H,4-13,15-17H2,1H3;6-7,16,18-19H,2-5,8-15,17H2,1H3;7-8,19-20H,3-6,9-17H2,1-2H3;3,5,17,20H,2,4,6-15H2,1H3/t;;;;17-,20-/m....1/s1
InChIKeyAERGHBIXYHWXPD-SPSFPWLASA-N
XLogP22.62
TPSA387.56 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds48
Heavy Atoms179
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002534.83
LogP ≤ 522.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Analyze 1-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-one;1-[4-fluoro-4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-[(5-methyl-1,2-oxazol-3-yl)oxy]propan-2-one;1-[4-fluoro-4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-(1-methylpyrazol-4-yl)propan-2-one;1-(3-methoxy-1,2-oxazol-5-yl)-3-[4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]propan-2-one;1-(5-methyl-1,2,4-oxadiazol-3-yl)-3-[(3R,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]oxan-3-yl]propan-2-one with MolForge

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Related Compounds

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
CID 160993294
CID 160993294

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-one;1-[4-fluoro-4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-[(5-methyl-1,2-oxazol-3-yl)oxy]propan-2-one;1-[4-fluoro-4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-(1-methylpyrazol-4-yl)propan-2-one;1-(3-methoxy-1,2-oxazol-5-yl)-3-[4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]propan-2-one;1-(5-methyl-1,2,4-oxadiazol-3-yl)-3-[(3R,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]oxan-3-yl]propan-2-one?
The IUPAC name of 1-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-one;1-[4-fluoro-4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-[(5-methyl-1,2-oxazol-3-yl)oxy]propan-2-one;1-[4-fluoro-4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-(1-methylpyrazol-4-yl)propan-2-one;1-(3-methoxy-1,2-oxazol-5-yl)-3-[4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]propan-2-one;1-(5-methyl-1,2,4-oxadiazol-3-yl)-3-[(3R,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]oxan-3-yl]propan-2-one (CID 157091132) is 1-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-one;1-[4-fluoro-4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-[(5-methyl-1,2-oxazol-3-yl)oxy]propan-2-one;1-[4-fluoro-4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-(1-methylpyrazol-4-yl)propan-2-one;1-(3-methoxy-1,2-oxazol-5-yl)-3-[4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]propan-2-one;1-(5-methyl-1,2,4-oxadiazol-3-yl)-3-[(3R,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]oxan-3-yl]propan-2-one.
What is the SMILES notation for 1-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-one;1-[4-fluoro-4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-[(5-methyl-1,2-oxazol-3-yl)oxy]propan-2-one;1-[4-fluoro-4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-(1-methylpyrazol-4-yl)propan-2-one;1-(3-methoxy-1,2-oxazol-5-yl)-3-[4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]propan-2-one;1-(5-methyl-1,2,4-oxadiazol-3-yl)-3-[(3R,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]oxan-3-yl]propan-2-one?
The canonical SMILES for 1-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-one;1-[4-fluoro-4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-[(5-methyl-1,2-oxazol-3-yl)oxy]propan-2-one;1-[4-fluoro-4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-(1-methylpyrazol-4-yl)propan-2-one;1-(3-methoxy-1,2-oxazol-5-yl)-3-[4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]propan-2-one;1-(5-methyl-1,2,4-oxadiazol-3-yl)-3-[(3R,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]oxan-3-yl]propan-2-one is COc1cc(CC(=O)CC2CCC(CCN3CCc4ccc(OCC(F)(F)F)nc4CC3)CC2)on1.Cc1cc(OCC(=O)CC2CCC(F)(CCN3CCc4ccc(OCC(F)(F)F)nc4CC3)CC2)no1.Cc1nc(CC(=O)CC2CCC(CCN3CCc4ccc(OCC(C)(F)F)nc4CC3)CC2)no1.Cc1nc(CC(=O)C[C@H]2CC[C@H](CCN3CCc4ccc(OCC(F)(F)F)nc4CC3)OC2)no1.Cn1cc(CC(=O)CC2CCC(F)(CCN3CCc4ccc(OCC(F)(F)F)nc4CC3)CC2)cn1.
What is the InChIKey of 1-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-one;1-[4-fluoro-4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-[(5-methyl-1,2-oxazol-3-yl)oxy]propan-2-one;1-[4-fluoro-4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-(1-methylpyrazol-4-yl)propan-2-one;1-(3-methoxy-1,2-oxazol-5-yl)-3-[4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]propan-2-one;1-(5-methyl-1,2,4-oxadiazol-3-yl)-3-[(3R,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]oxan-3-yl]propan-2-one?
The InChIKey is AERGHBIXYHWXPD-SPSFPWLASA-N. The full InChI is InChI=1S/C26H34F4N4O2.C26H33F4N3O4.C26H34F3N3O4.C26H36F2N4O3.C24H31F3N4O4/c1-33-17-20(16-31-33)15-22(35)14-19-4-8-25(27,9-5-19)10-13-34-11-6-21-2-3-24(32-23(21)7-12-34)36-18-26(28,29)30;1-18-14-24(32-37-18)35-16-21(34)15-19-4-8-25(27,9-5-19)10-13-33-11-6-20-2-3-23(31-22(20)7-12-33)36-17-26(28,29)30;1-34-25-16-22(36-31-25)15-21(33)14-19-4-2-18(3-5-19)8-11-32-12-9-20-6-7-24(30-23(20)10-13-32)35-17-26(27,28)29;1-18-29-24(31-35-18)16-22(33)15-20-5-3-19(4-6-20)9-12-32-13-10-21-7-8-25(30-23(21)11-14-32)34-17-26(2,27)28;1-16-28-22(30-35-16)13-19(32)12-17-2-4-20(33-14-17)7-10-31-9-6-18-3-5-23(29-21(18)8-11-31)34-15-24(25,26)27/h2-3,16-17,19H,4-15,18H2,1H3;2-3,14,19H,4-13,15-17H2,1H3;6-7,16,18-19H,2-5,8-15,17H2,1H3;7-8,19-20H,3-6,9-17H2,1-2H3;3,5,17,20H,2,4,6-15H2,1H3/t;;;;17-,20-/m....1/s1.
What are the key properties of 1-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-one;1-[4-fluoro-4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-[(5-methyl-1,2-oxazol-3-yl)oxy]propan-2-one;1-[4-fluoro-4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-(1-methylpyrazol-4-yl)propan-2-one;1-(3-methoxy-1,2-oxazol-5-yl)-3-[4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]propan-2-one;1-(5-methyl-1,2,4-oxadiazol-3-yl)-3-[(3R,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]oxan-3-yl]propan-2-one?
1-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-one;1-[4-fluoro-4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-[(5-methyl-1,2-oxazol-3-yl)oxy]propan-2-one;1-[4-fluoro-4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-(1-methylpyrazol-4-yl)propan-2-one;1-(3-methoxy-1,2-oxazol-5-yl)-3-[4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]propan-2-one;1-(5-methyl-1,2,4-oxadiazol-3-yl)-3-[(3R,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]oxan-3-yl]propan-2-one has a molecular weight of 2534.83 g/mol, XLogP of 22.62, 48 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-one;1-[4-fluoro-4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-[(5-methyl-1,2-oxazol-3-yl)oxy]propan-2-one;1-[4-fluoro-4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-(1-methylpyrazol-4-yl)propan-2-one;1-(3-methoxy-1,2-oxazol-5-yl)-3-[4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]propan-2-one;1-(5-methyl-1,2,4-oxadiazol-3-yl)-3-[(3R,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]oxan-3-yl]propan-2-one is sourced from PubChem (CID 157091132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).