N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(2-methyl-1,3-oxazol-5-yl)acetamide;N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide;N-[4-[2-[2-(3,3-difluorocyclopentyl)oxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(2-methylindazol-5-yl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(1-methyl-6-oxo-3-pyridinyl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(2-methylpyrimidin-5-yl)oxyacetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(2-methyltriazol-4-yl)acetamide;2-(2-methyl-1-oxoisoquinolin-6-yl)-N-[4-[2-(2-propan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]acetamide

C195H262F11N33O18 — CID 157456984

IUPACN-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(2-methyl-1,3-oxazol-5-yl)acetamide;N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide;N-[4-[2-[2-(3,3-difluorocyclopentyl)oxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(2-methylindazol-5-yl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(1-methyl-6-oxo-3-pyridinyl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(2-methylpyrimidin-5-yl)oxyacetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(2-methyltriazol-4-yl)acetamide;2-(2-methyl-1-oxoisoquinolin-6-yl)-N-[4-[2-(2-propan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]acetamide
SMILESCC(C)Oc1ccc2c(n1)CCN(CCC1CCC(NC(=O)Cc3ccc4c(=O)n(C)ccc4c3)CC1)CC2.Cc1ncc(CC(=O)NC2CCC(CCN3CCc4ccc(OC5CCC5)nc4CC3)CC2)o1.Cc1ncc(OCC(=O)NC2CCC(F)(CCN3CCc4ccc(OCC(F)F)nc4CC3)CC2)cn1.Cn1cc(CC(=O)NC2CCC(CCN3CCc4ccc(OC5CCC5)nc4CC3)CC2)cn1.Cn1cc(CC(=O)NC2CCC(F)(CCN3CCc4ccc(OCC(F)F)nc4CC3)CC2)ccc1=O.Cn1cc2cc(CC(=O)NC3CCC(CCN4CCc5ccc(OC6CCC(F)(F)C6)nc5CC4)CC3)ccc2n1.Cn1ncc(CC(=O)NC2CCC(F)(CCN3CCc4ccc(OCC(F)F)nc4CC3)CC2)n1
InChIInChI=1S/C32H41F2N5O2.C32H42N4O3.C27H35F3N4O3.C27H39N5O2.C27H38N4O3.C26H34F3N5O3.C24H33F3N6O2/c1-38-21-25-18-23(4-8-29(25)37-38)19-30(40)35-26-6-2-22(3-7-26)11-15-39-16-12-24-5-9-31(36-28(24)13-17-39)41-27-10-14-32(33,34)20-27;1-22(2)39-31-11-7-25-14-18-36(19-15-29(25)34-31)17-12-23-4-8-27(9-5-23)33-30(37)21-24-6-10-28-26(20-24)13-16-35(3)32(28)38;1-33-17-19(2-5-26(33)36)16-24(35)31-21-6-10-27(30,11-7-21)12-15-34-13-8-20-3-4-25(37-18-23(28)29)32-22(20)9-14-34;1-31-19-21(18-28-31)17-26(33)29-23-8-5-20(6-9-23)11-14-32-15-12-22-7-10-27(30-25(22)13-16-32)34-24-3-2-4-24;1-19-28-18-24(33-19)17-26(32)29-22-8-5-20(6-9-22)11-14-31-15-12-21-7-10-27(30-25(21)13-16-31)34-23-3-2-4-23;1-18-30-14-21(15-31-18)36-17-24(35)32-20-4-8-26(29,9-5-20)10-13-34-11-6-19-2-3-25(37-16-23(27)28)33-22(19)7-12-34;1-32-28-15-19(31-32)14-22(34)29-18-4-8-24(27,9-5-18)10-13-33-11-6-17-2-3-23(35-16-21(25)26)30-20(17)7-12-33/h4-5,8-9,18,21-22,26-27H,2-3,6-7,10-17,19-20H2,1H3,(H,35,40);6-7,10-11,13,16,20,22-23,27H,4-5,8-9,12,14-15,17-19,21H2,1-3H3,(H,33,37);2-5,17,21,23H,6-16,18H2,1H3,(H,31,35);7,10,18-20,23-24H,2-6,8-9,11-17H2,1H3,(H,29,33);7,10,18,20,22-23H,2-6,8-9,11-17H2,1H3,(H,29,32);2-3,14-15,20,23H,4-13,16-17H2,1H3,(H,32,35);2-3,15,18,21H,4-14,16H2,1H3,(H,29,34)
InChIKeyBTMALATVRXIOOZ-UHFFFAOYSA-N
MW3565.43 g/mol
LogP26.48
Rot. Bonds60

About N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(2-methyl-1,3-oxazol-5-yl)acetamide;N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide;N-[4-[2-[2-(3,3-difluorocyclopentyl)oxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(2-methylindazol-5-yl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(1-methyl-6-oxo-3-pyridinyl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(2-methylpyrimidin-5-yl)oxyacetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(2-methyltriazol-4-yl)acetamide;2-(2-methyl-1-oxoisoquinolin-6-yl)-N-[4-[2-(2-propan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]acetamide

N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(2-methyl-1,3-oxazol-5-yl)acetamide;N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide;N-[4-[2-[2-(3,3-difluorocyclopentyl)oxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(2-methylindazol-5-yl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(1-methyl-6-oxo-3-pyridinyl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(2-methylpyrimidin-5-yl)oxyacetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(2-methyltriazol-4-yl)acetamide;2-(2-methyl-1-oxoisoquinolin-6-yl)-N-[4-[2-(2-propan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]acetamide (PubChem CID 157456984) has the molecular formula C195H262F11N33O18 and a molecular weight of 3565.43 g/mol. Its IUPAC name is N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(2-methyl-1,3-oxazol-5-yl)acetamide;N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide;N-[4-[2-[2-(3,3-difluorocyclopentyl)oxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(2-methylindazol-5-yl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(1-methyl-6-oxo-3-pyridinyl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(2-methylpyrimidin-5-yl)oxyacetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(2-methyltriazol-4-yl)acetamide;2-(2-methyl-1-oxoisoquinolin-6-yl)-N-[4-[2-(2-propan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(2-methyl-1,3-oxazol-5-yl)acetamide;N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide;N-[4-[2-[2-(3,3-difluorocyclopentyl)oxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(2-methylindazol-5-yl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(1-methyl-6-oxo-3-pyridinyl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(2-methylpyrimidin-5-yl)oxyacetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(2-methyltriazol-4-yl)acetamide;2-(2-methyl-1-oxoisoquinolin-6-yl)-N-[4-[2-(2-propan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]acetamide
PubChem CID157456984
Molecular FormulaC195H262F11N33O18
Molecular Weight3565.43 g/mol
Exact Mass3563.04
IUPAC NameN-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(2-methyl-1,3-oxazol-5-yl)acetamide;N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide;N-[4-[2-[2-(3,3-difluorocyclopentyl)oxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(2-methylindazol-5-yl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(1-methyl-6-oxo-3-pyridinyl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(2-methylpyrimidin-5-yl)oxyacetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(2-methyltriazol-4-yl)acetamide;2-(2-methyl-1-oxoisoquinolin-6-yl)-N-[4-[2-(2-propan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]acetamide
SMILESCC(C)Oc1ccc2c(n1)CCN(CCC1CCC(NC(=O)Cc3ccc4c(=O)n(C)ccc4c3)CC1)CC2.Cc1ncc(CC(=O)NC2CCC(CCN3CCc4ccc(OC5CCC5)nc4CC3)CC2)o1.Cc1ncc(OCC(=O)NC2CCC(F)(CCN3CCc4ccc(OCC(F)F)nc4CC3)CC2)cn1.Cn1cc(CC(=O)NC2CCC(CCN3CCc4ccc(OC5CCC5)nc4CC3)CC2)cn1.Cn1cc(CC(=O)NC2CCC(F)(CCN3CCc4ccc(OCC(F)F)nc4CC3)CC2)ccc1=O.Cn1cc2cc(CC(=O)NC3CCC(CCN4CCc5ccc(OC6CCC(F)(F)C6)nc5CC4)CC3)ccc2n1.Cn1ncc(CC(=O)NC2CCC(F)(CCN3CCc4ccc(OCC(F)F)nc4CC3)CC2)n1
InChIInChI=1S/C32H41F2N5O2.C32H42N4O3.C27H35F3N4O3.C27H39N5O2.C27H38N4O3.C26H34F3N5O3.C24H33F3N6O2/c1-38-21-25-18-23(4-8-29(25)37-38)19-30(40)35-26-6-2-22(3-7-26)11-15-39-16-12-24-5-9-31(36-28(24)13-17-39)41-27-10-14-32(33,34)20-27;1-22(2)39-31-11-7-25-14-18-36(19-15-29(25)34-31)17-12-23-4-8-27(9-5-23)33-30(37)21-24-6-10-28-26(20-24)13-16-35(3)32(28)38;1-33-17-19(2-5-26(33)36)16-24(35)31-21-6-10-27(30,11-7-21)12-15-34-13-8-20-3-4-25(37-18-23(28)29)32-22(20)9-14-34;1-31-19-21(18-28-31)17-26(33)29-23-8-5-20(6-9-23)11-14-32-15-12-22-7-10-27(30-25(22)13-16-32)34-24-3-2-4-24;1-19-28-18-24(33-19)17-26(32)29-22-8-5-20(6-9-22)11-14-31-15-12-21-7-10-27(30-25(21)13-16-31)34-23-3-2-4-23;1-18-30-14-21(15-31-18)36-17-24(35)32-20-4-8-26(29,9-5-20)10-13-34-11-6-19-2-3-25(37-16-23(27)28)33-22(19)7-12-34;1-32-28-15-19(31-32)14-22(34)29-18-4-8-24(27,9-5-18)10-13-33-11-6-17-2-3-23(35-16-21(25)26)30-20(17)7-12-33/h4-5,8-9,18,21-22,26-27H,2-3,6-7,10-17,19-20H2,1H3,(H,35,40);6-7,10-11,13,16,20,22-23,27H,4-5,8-9,12,14-15,17-19,21H2,1-3H3,(H,33,37);2-5,17,21,23H,6-16,18H2,1H3,(H,31,35);7,10,18-20,23-24H,2-6,8-9,11-17H2,1H3,(H,29,33);7,10,18,20,22-23H,2-6,8-9,11-17H2,1H3,(H,29,32);2-3,14-15,20,23H,4-13,16-17H2,1H3,(H,32,35);2-3,15,18,21H,4-14,16H2,1H3,(H,29,34)
InChIKeyBTMALATVRXIOOZ-UHFFFAOYSA-N
XLogP26.48
TPSA552.61 Ų
H-Bond Donors7
H-Bond Acceptors44
Rotatable Bonds60
Heavy Atoms257
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003565.43
LogP ≤ 526.48
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1044

Analyze N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(2-methyl-1,3-oxazol-5-yl)acetamide;N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide;N-[4-[2-[2-(3,3-difluorocyclopentyl)oxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(2-methylindazol-5-yl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(1-methyl-6-oxo-3-pyridinyl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(2-methylpyrimidin-5-yl)oxyacetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(2-methyltriazol-4-yl)acetamide;2-(2-methyl-1-oxoisoquinolin-6-yl)-N-[4-[2-(2-propan-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-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(2-methyl-1,3-oxazol-5-yl)acetamide;N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide;N-[4-[2-[2-(3,3-difluorocyclopentyl)oxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(2-methylindazol-5-yl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(1-methyl-6-oxo-3-pyridinyl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(2-methylpyrimidin-5-yl)oxyacetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(2-methyltriazol-4-yl)acetamide;2-(2-methyl-1-oxoisoquinolin-6-yl)-N-[4-[2-(2-propan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]acetamide?
The IUPAC name of N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(2-methyl-1,3-oxazol-5-yl)acetamide;N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide;N-[4-[2-[2-(3,3-difluorocyclopentyl)oxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(2-methylindazol-5-yl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(1-methyl-6-oxo-3-pyridinyl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(2-methylpyrimidin-5-yl)oxyacetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(2-methyltriazol-4-yl)acetamide;2-(2-methyl-1-oxoisoquinolin-6-yl)-N-[4-[2-(2-propan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]acetamide (CID 157456984) is N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(2-methyl-1,3-oxazol-5-yl)acetamide;N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide;N-[4-[2-[2-(3,3-difluorocyclopentyl)oxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(2-methylindazol-5-yl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(1-methyl-6-oxo-3-pyridinyl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(2-methylpyrimidin-5-yl)oxyacetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(2-methyltriazol-4-yl)acetamide;2-(2-methyl-1-oxoisoquinolin-6-yl)-N-[4-[2-(2-propan-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-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(2-methyl-1,3-oxazol-5-yl)acetamide;N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide;N-[4-[2-[2-(3,3-difluorocyclopentyl)oxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(2-methylindazol-5-yl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(1-methyl-6-oxo-3-pyridinyl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(2-methylpyrimidin-5-yl)oxyacetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(2-methyltriazol-4-yl)acetamide;2-(2-methyl-1-oxoisoquinolin-6-yl)-N-[4-[2-(2-propan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(2-methyl-1,3-oxazol-5-yl)acetamide;N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide;N-[4-[2-[2-(3,3-difluorocyclopentyl)oxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(2-methylindazol-5-yl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(1-methyl-6-oxo-3-pyridinyl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(2-methylpyrimidin-5-yl)oxyacetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(2-methyltriazol-4-yl)acetamide;2-(2-methyl-1-oxoisoquinolin-6-yl)-N-[4-[2-(2-propan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]acetamide is CC(C)Oc1ccc2c(n1)CCN(CCC1CCC(NC(=O)Cc3ccc4c(=O)n(C)ccc4c3)CC1)CC2.Cc1ncc(CC(=O)NC2CCC(CCN3CCc4ccc(OC5CCC5)nc4CC3)CC2)o1.Cc1ncc(OCC(=O)NC2CCC(F)(CCN3CCc4ccc(OCC(F)F)nc4CC3)CC2)cn1.Cn1cc(CC(=O)NC2CCC(CCN3CCc4ccc(OC5CCC5)nc4CC3)CC2)cn1.Cn1cc(CC(=O)NC2CCC(F)(CCN3CCc4ccc(OCC(F)F)nc4CC3)CC2)ccc1=O.Cn1cc2cc(CC(=O)NC3CCC(CCN4CCc5ccc(OC6CCC(F)(F)C6)nc5CC4)CC3)ccc2n1.Cn1ncc(CC(=O)NC2CCC(F)(CCN3CCc4ccc(OCC(F)F)nc4CC3)CC2)n1.
What is the InChIKey of N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(2-methyl-1,3-oxazol-5-yl)acetamide;N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide;N-[4-[2-[2-(3,3-difluorocyclopentyl)oxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(2-methylindazol-5-yl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(1-methyl-6-oxo-3-pyridinyl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(2-methylpyrimidin-5-yl)oxyacetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(2-methyltriazol-4-yl)acetamide;2-(2-methyl-1-oxoisoquinolin-6-yl)-N-[4-[2-(2-propan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]acetamide?
The InChIKey is BTMALATVRXIOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41F2N5O2.C32H42N4O3.C27H35F3N4O3.C27H39N5O2.C27H38N4O3.C26H34F3N5O3.C24H33F3N6O2/c1-38-21-25-18-23(4-8-29(25)37-38)19-30(40)35-26-6-2-22(3-7-26)11-15-39-16-12-24-5-9-31(36-28(24)13-17-39)41-27-10-14-32(33,34)20-27;1-22(2)39-31-11-7-25-14-18-36(19-15-29(25)34-31)17-12-23-4-8-27(9-5-23)33-30(37)21-24-6-10-28-26(20-24)13-16-35(3)32(28)38;1-33-17-19(2-5-26(33)36)16-24(35)31-21-6-10-27(30,11-7-21)12-15-34-13-8-20-3-4-25(37-18-23(28)29)32-22(20)9-14-34;1-31-19-21(18-28-31)17-26(33)29-23-8-5-20(6-9-23)11-14-32-15-12-22-7-10-27(30-25(22)13-16-32)34-24-3-2-4-24;1-19-28-18-24(33-19)17-26(32)29-22-8-5-20(6-9-22)11-14-31-15-12-21-7-10-27(30-25(21)13-16-31)34-23-3-2-4-23;1-18-30-14-21(15-31-18)36-17-24(35)32-20-4-8-26(29,9-5-20)10-13-34-11-6-19-2-3-25(37-16-23(27)28)33-22(19)7-12-34;1-32-28-15-19(31-32)14-22(34)29-18-4-8-24(27,9-5-18)10-13-33-11-6-17-2-3-23(35-16-21(25)26)30-20(17)7-12-33/h4-5,8-9,18,21-22,26-27H,2-3,6-7,10-17,19-20H2,1H3,(H,35,40);6-7,10-11,13,16,20,22-23,27H,4-5,8-9,12,14-15,17-19,21H2,1-3H3,(H,33,37);2-5,17,21,23H,6-16,18H2,1H3,(H,31,35);7,10,18-20,23-24H,2-6,8-9,11-17H2,1H3,(H,29,33);7,10,18,20,22-23H,2-6,8-9,11-17H2,1H3,(H,29,32);2-3,14-15,20,23H,4-13,16-17H2,1H3,(H,32,35);2-3,15,18,21H,4-14,16H2,1H3,(H,29,34).
What are the key properties of N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(2-methyl-1,3-oxazol-5-yl)acetamide;N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide;N-[4-[2-[2-(3,3-difluorocyclopentyl)oxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(2-methylindazol-5-yl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(1-methyl-6-oxo-3-pyridinyl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(2-methylpyrimidin-5-yl)oxyacetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(2-methyltriazol-4-yl)acetamide;2-(2-methyl-1-oxoisoquinolin-6-yl)-N-[4-[2-(2-propan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]acetamide?
N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(2-methyl-1,3-oxazol-5-yl)acetamide;N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide;N-[4-[2-[2-(3,3-difluorocyclopentyl)oxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(2-methylindazol-5-yl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(1-methyl-6-oxo-3-pyridinyl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(2-methylpyrimidin-5-yl)oxyacetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(2-methyltriazol-4-yl)acetamide;2-(2-methyl-1-oxoisoquinolin-6-yl)-N-[4-[2-(2-propan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]acetamide has a molecular weight of 3565.43 g/mol, XLogP of 26.48, 60 rotatable bonds, 7 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(2-methyl-1,3-oxazol-5-yl)acetamide;N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide;N-[4-[2-[2-(3,3-difluorocyclopentyl)oxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(2-methylindazol-5-yl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(1-methyl-6-oxo-3-pyridinyl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(2-methylpyrimidin-5-yl)oxyacetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(2-methyltriazol-4-yl)acetamide;2-(2-methyl-1-oxoisoquinolin-6-yl)-N-[4-[2-(2-propan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]acetamide is sourced from PubChem (CID 157456984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).