N-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide;N-[4-[2-[2-(2,2-difluoropropoxy)-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-fluoro-2-methylpropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide;2-(2-methyl-1,3-oxazol-5-yl)-N-[4-[2-(2-propan-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-propan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]acetamide;2-methyl-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]piperidin-1-yl]indazole-4-carboxamide

C159H218F10N30O13S2 — CID 161200863

IUPACN-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide;N-[4-[2-[2-(2,2-difluoropropoxy)-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-fluoro-2-methylpropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide;2-(2-methyl-1,3-oxazol-5-yl)-N-[4-[2-(2-propan-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-propan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]acetamide;2-methyl-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]piperidin-1-yl]indazole-4-carboxamide
SMILESCc1ncc(CC(=O)NC2CCC(CCN3CCc4ccc(OC(C)C)nc4CC3)CC2)o1.Cc1nnc(CC(=O)NC2CCC(CCN3CCc4ccc(OC(C)C)nc4CC3)CC2)s1.Cc1nnc(CC(=O)NC2CCC(F)(CCN3CCc4ccc(OCC(C)(F)F)nc4CC3)CC2)s1.Cn1cc(CC(=O)NC2CCC(F)(CCN3CCc4ccc(OCC(C)(F)F)nc4CC3)CC2)cn1.Cn1cc2c(C(=O)NC3CCC(CCN4CCc5ccc(OCC(C)(C)F)nc5CC4)CC3)cccc2n1.Cn1cc2c(C(=O)NN3CCC(CCN4CCc5ccc(OCC(F)(F)F)nc5CC4)CC3)cccc2n1
InChIInChI=1S/C30H40FN5O2.C27H33F3N6O2.C26H36F3N5O2.C26H38N4O3.C25H34F3N5O2S.C25H37N5O2S/c1-30(2,31)20-38-28-12-9-22-14-17-36(18-15-26(22)33-28)16-13-21-7-10-23(11-8-21)32-29(37)24-5-4-6-27-25(24)19-35(3)34-27;1-34-17-22-21(3-2-4-24(22)32-34)26(37)33-36-15-8-19(9-16-36)7-12-35-13-10-20-5-6-25(31-23(20)11-14-35)38-18-27(28,29)30;1-25(27,28)18-36-24-4-3-20-7-12-34(13-8-22(20)32-24)14-11-26(29)9-5-21(6-10-26)31-23(35)15-19-16-30-33(2)17-19;1-18(2)32-26-9-6-21-11-14-30(15-12-24(21)29-26)13-10-20-4-7-22(8-5-20)28-25(31)16-23-17-27-19(3)33-23;1-17-31-32-23(36-17)15-21(34)29-19-5-9-25(28,10-6-19)11-14-33-12-7-18-3-4-22(30-20(18)8-13-33)35-16-24(2,26)27;1-17(2)32-24-9-6-20-11-14-30(15-12-22(20)27-24)13-10-19-4-7-21(8-5-19)26-23(31)16-25-29-28-18(3)33-25/h4-6,9,12,19,21,23H,7-8,10-11,13-18,20H2,1-3H3,(H,32,37);2-6,17,19H,7-16,18H2,1H3,(H,33,37);3-4,16-17,21H,5-15,18H2,1-2H3,(H,31,35);6,9,17-18,20,22H,4-5,7-8,10-16H2,1-3H3,(H,28,31);3-4,19H,5-16H2,1-2H3,(H,29,34);6,9,17,19,21H,4-5,7-8,10-16H2,1-3H3,(H,26,31)
InChIKeyUUYOBWMXCFAHNF-UHFFFAOYSA-N
MW3011.80 g/mol
LogP23.97
Rot. Bonds49

About N-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide;N-[4-[2-[2-(2,2-difluoropropoxy)-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-fluoro-2-methylpropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide;2-(2-methyl-1,3-oxazol-5-yl)-N-[4-[2-(2-propan-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-propan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]acetamide;2-methyl-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]piperidin-1-yl]indazole-4-carboxamide

N-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide;N-[4-[2-[2-(2,2-difluoropropoxy)-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-fluoro-2-methylpropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide;2-(2-methyl-1,3-oxazol-5-yl)-N-[4-[2-(2-propan-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-propan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]acetamide;2-methyl-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]piperidin-1-yl]indazole-4-carboxamide (PubChem CID 161200863) has the molecular formula C159H218F10N30O13S2 and a molecular weight of 3011.80 g/mol. Its IUPAC name is N-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide;N-[4-[2-[2-(2,2-difluoropropoxy)-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-fluoro-2-methylpropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide;2-(2-methyl-1,3-oxazol-5-yl)-N-[4-[2-(2-propan-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-propan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]acetamide;2-methyl-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]piperidin-1-yl]indazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide;N-[4-[2-[2-(2,2-difluoropropoxy)-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-fluoro-2-methylpropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide;2-(2-methyl-1,3-oxazol-5-yl)-N-[4-[2-(2-propan-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-propan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]acetamide;2-methyl-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]piperidin-1-yl]indazole-4-carboxamide
PubChem CID161200863
Molecular FormulaC159H218F10N30O13S2
Molecular Weight3011.80 g/mol
Exact Mass3009.66
IUPAC NameN-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide;N-[4-[2-[2-(2,2-difluoropropoxy)-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-fluoro-2-methylpropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide;2-(2-methyl-1,3-oxazol-5-yl)-N-[4-[2-(2-propan-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-propan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]acetamide;2-methyl-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]piperidin-1-yl]indazole-4-carboxamide
SMILESCc1ncc(CC(=O)NC2CCC(CCN3CCc4ccc(OC(C)C)nc4CC3)CC2)o1.Cc1nnc(CC(=O)NC2CCC(CCN3CCc4ccc(OC(C)C)nc4CC3)CC2)s1.Cc1nnc(CC(=O)NC2CCC(F)(CCN3CCc4ccc(OCC(C)(F)F)nc4CC3)CC2)s1.Cn1cc(CC(=O)NC2CCC(F)(CCN3CCc4ccc(OCC(C)(F)F)nc4CC3)CC2)cn1.Cn1cc2c(C(=O)NC3CCC(CCN4CCc5ccc(OCC(C)(C)F)nc5CC4)CC3)cccc2n1.Cn1cc2c(C(=O)NN3CCC(CCN4CCc5ccc(OCC(F)(F)F)nc5CC4)CC3)cccc2n1
InChIInChI=1S/C30H40FN5O2.C27H33F3N6O2.C26H36F3N5O2.C26H38N4O3.C25H34F3N5O2S.C25H37N5O2S/c1-30(2,31)20-38-28-12-9-22-14-17-36(18-15-26(22)33-28)16-13-21-7-10-23(11-8-21)32-29(37)24-5-4-6-27-25(24)19-35(3)34-27;1-34-17-22-21(3-2-4-24(22)32-34)26(37)33-36-15-8-19(9-16-36)7-12-35-13-10-20-5-6-25(31-23(20)11-14-35)38-18-27(28,29)30;1-25(27,28)18-36-24-4-3-20-7-12-34(13-8-22(20)32-24)14-11-26(29)9-5-21(6-10-26)31-23(35)15-19-16-30-33(2)17-19;1-18(2)32-26-9-6-21-11-14-30(15-12-24(21)29-26)13-10-20-4-7-22(8-5-20)28-25(31)16-23-17-27-19(3)33-23;1-17-31-32-23(36-17)15-21(34)29-19-5-9-25(28,10-6-19)11-14-33-12-7-18-3-4-22(30-20(18)8-13-33)35-16-24(2,26)27;1-17(2)32-24-9-6-20-11-14-30(15-12-22(20)27-24)13-10-19-4-7-21(8-5-19)26-23(31)16-25-29-28-18(3)33-25/h4-6,9,12,19,21,23H,7-8,10-11,13-18,20H2,1-3H3,(H,32,37);2-6,17,19H,7-16,18H2,1H3,(H,33,37);3-4,16-17,21H,5-15,18H2,1-2H3,(H,31,35);6,9,17-18,20,22H,4-5,7-8,10-16H2,1-3H3,(H,28,31);3-4,19H,5-16H2,1-2H3,(H,29,34);6,9,17,19,21H,4-5,7-8,10-16H2,1-3H3,(H,26,31)
InChIKeyUUYOBWMXCFAHNF-UHFFFAOYSA-N
XLogP23.97
TPSA461.05 Ų
H-Bond Donors6
H-Bond Acceptors39
Rotatable Bonds49
Heavy Atoms214
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003011.80
LogP ≤ 523.97
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1039

Analyze N-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide;N-[4-[2-[2-(2,2-difluoropropoxy)-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-fluoro-2-methylpropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide;2-(2-methyl-1,3-oxazol-5-yl)-N-[4-[2-(2-propan-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-propan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]acetamide;2-methyl-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]piperidin-1-yl]indazole-4-carboxamide with MolForge

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Related Compounds

1-(3,3-difluoro-4-methylpiperidin-1-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[3,3-difluoro-4-(propan-2-ylamino)piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)piperidin-1-yl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;bis(1-[(1R,5S)-3-(1-fluorobutan-2-ylamino)-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone);2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[4-(3-methoxypropyl)cyclohexyl]ethanone;1-[4-[2-methoxyethyl(methyl)amino]piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-(3-methoxypropyl)cyclohexyl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone
CID 157322289
CID 159647331
CID 159647331
2-[4-[2-[2-(3,3-difluorocyclobutyl)oxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-1-(2-methylisoindol-4-yl)ethanone;2-(1-ethylpyrazol-4-yl)-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide;2-(1-ethylpyrazol-4-yl)-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetamide;2-[4-[2-[2-(2-fluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-1-(2-methylisoindol-4-yl)ethanone;methane;2-methyl-1-methylidene-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-3H-isoindole-4-carboxamide;2-(2-methyl-1,3-oxazol-5-yl)-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetamide
CID 160349209
CID 160559549
CID 160559549
CID 162156702
CID 162156702

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide;N-[4-[2-[2-(2,2-difluoropropoxy)-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-fluoro-2-methylpropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide;2-(2-methyl-1,3-oxazol-5-yl)-N-[4-[2-(2-propan-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-propan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]acetamide;2-methyl-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]piperidin-1-yl]indazole-4-carboxamide?
The IUPAC name of N-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide;N-[4-[2-[2-(2,2-difluoropropoxy)-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-fluoro-2-methylpropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide;2-(2-methyl-1,3-oxazol-5-yl)-N-[4-[2-(2-propan-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-propan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]acetamide;2-methyl-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]piperidin-1-yl]indazole-4-carboxamide (CID 161200863) is N-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide;N-[4-[2-[2-(2,2-difluoropropoxy)-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-fluoro-2-methylpropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide;2-(2-methyl-1,3-oxazol-5-yl)-N-[4-[2-(2-propan-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-propan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]acetamide;2-methyl-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]piperidin-1-yl]indazole-4-carboxamide.
What is the SMILES notation for N-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide;N-[4-[2-[2-(2,2-difluoropropoxy)-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-fluoro-2-methylpropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide;2-(2-methyl-1,3-oxazol-5-yl)-N-[4-[2-(2-propan-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-propan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]acetamide;2-methyl-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]piperidin-1-yl]indazole-4-carboxamide?
The canonical SMILES for N-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide;N-[4-[2-[2-(2,2-difluoropropoxy)-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-fluoro-2-methylpropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide;2-(2-methyl-1,3-oxazol-5-yl)-N-[4-[2-(2-propan-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-propan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]acetamide;2-methyl-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]piperidin-1-yl]indazole-4-carboxamide is Cc1ncc(CC(=O)NC2CCC(CCN3CCc4ccc(OC(C)C)nc4CC3)CC2)o1.Cc1nnc(CC(=O)NC2CCC(CCN3CCc4ccc(OC(C)C)nc4CC3)CC2)s1.Cc1nnc(CC(=O)NC2CCC(F)(CCN3CCc4ccc(OCC(C)(F)F)nc4CC3)CC2)s1.Cn1cc(CC(=O)NC2CCC(F)(CCN3CCc4ccc(OCC(C)(F)F)nc4CC3)CC2)cn1.Cn1cc2c(C(=O)NC3CCC(CCN4CCc5ccc(OCC(C)(C)F)nc5CC4)CC3)cccc2n1.Cn1cc2c(C(=O)NN3CCC(CCN4CCc5ccc(OCC(F)(F)F)nc5CC4)CC3)cccc2n1.
What is the InChIKey of N-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide;N-[4-[2-[2-(2,2-difluoropropoxy)-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-fluoro-2-methylpropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide;2-(2-methyl-1,3-oxazol-5-yl)-N-[4-[2-(2-propan-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-propan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]acetamide;2-methyl-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]piperidin-1-yl]indazole-4-carboxamide?
The InChIKey is UUYOBWMXCFAHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40FN5O2.C27H33F3N6O2.C26H36F3N5O2.C26H38N4O3.C25H34F3N5O2S.C25H37N5O2S/c1-30(2,31)20-38-28-12-9-22-14-17-36(18-15-26(22)33-28)16-13-21-7-10-23(11-8-21)32-29(37)24-5-4-6-27-25(24)19-35(3)34-27;1-34-17-22-21(3-2-4-24(22)32-34)26(37)33-36-15-8-19(9-16-36)7-12-35-13-10-20-5-6-25(31-23(20)11-14-35)38-18-27(28,29)30;1-25(27,28)18-36-24-4-3-20-7-12-34(13-8-22(20)32-24)14-11-26(29)9-5-21(6-10-26)31-23(35)15-19-16-30-33(2)17-19;1-18(2)32-26-9-6-21-11-14-30(15-12-24(21)29-26)13-10-20-4-7-22(8-5-20)28-25(31)16-23-17-27-19(3)33-23;1-17-31-32-23(36-17)15-21(34)29-19-5-9-25(28,10-6-19)11-14-33-12-7-18-3-4-22(30-20(18)8-13-33)35-16-24(2,26)27;1-17(2)32-24-9-6-20-11-14-30(15-12-22(20)27-24)13-10-19-4-7-21(8-5-19)26-23(31)16-25-29-28-18(3)33-25/h4-6,9,12,19,21,23H,7-8,10-11,13-18,20H2,1-3H3,(H,32,37);2-6,17,19H,7-16,18H2,1H3,(H,33,37);3-4,16-17,21H,5-15,18H2,1-2H3,(H,31,35);6,9,17-18,20,22H,4-5,7-8,10-16H2,1-3H3,(H,28,31);3-4,19H,5-16H2,1-2H3,(H,29,34);6,9,17,19,21H,4-5,7-8,10-16H2,1-3H3,(H,26,31).
What are the key properties of N-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide;N-[4-[2-[2-(2,2-difluoropropoxy)-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-fluoro-2-methylpropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide;2-(2-methyl-1,3-oxazol-5-yl)-N-[4-[2-(2-propan-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-propan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]acetamide;2-methyl-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]piperidin-1-yl]indazole-4-carboxamide?
N-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide;N-[4-[2-[2-(2,2-difluoropropoxy)-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-fluoro-2-methylpropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide;2-(2-methyl-1,3-oxazol-5-yl)-N-[4-[2-(2-propan-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-propan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]acetamide;2-methyl-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]piperidin-1-yl]indazole-4-carboxamide has a molecular weight of 3011.80 g/mol, XLogP of 23.97, 49 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]-4-fluorocyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide;N-[4-[2-[2-(2,2-difluoropropoxy)-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-fluoro-2-methylpropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide;2-(2-methyl-1,3-oxazol-5-yl)-N-[4-[2-(2-propan-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-propan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]acetamide;2-methyl-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]piperidin-1-yl]indazole-4-carboxamide is sourced from PubChem (CID 161200863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).