[(1R)-1-cyclopropylethyl] N-[3-chloro-4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[3-chloro-4-[3-cyano-1-cyclobutyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclopropyl-6-(methylsulfonylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[1-(cyclopropylmethyl)-6-pyridin-2-yloxyindol-2-yl]phenyl]carbamate

C235H227Cl2F9N34O26S — CID 159725062

IUPAC[(1R)-1-cyclopropylethyl] N-[3-chloro-4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[3-chloro-4-[3-cyano-1-cyclobutyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclopropyl-6-(methylsulfonylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[1-(cyclopropylmethyl)-6-pyridin-2-yloxyindol-2-yl]phenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(-c2cc3ccc(Oc4ncccc4C(F)(F)F)cc3n2CC2CC2)cc1.CCc1cnc(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)O[C@H](C)C5CC5)cc4C)n(C4CCC4)c3c2)nc1.CCc1cnc(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)O[C@H](C)C5CC5)cc4C)n(CC4CC4)c3c2)nc1.CCc1cnc(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)O[C@H](C)C5CC5)cc4Cl)n(C4CCC4)c3c2)nc1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCS(C)(=O)=O)cc3n2C2CC2)cc1)C(F)(F)F.C[C@@H](OC(=O)Nc1ccc(-c2cc3ccc(Oc4ccccn4)cc3n2CC2CC2)cc1)C(F)(F)F.Cc1ccnc(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)O[C@H](C)C5CC5)cc4C)n(C4CCC4)c3c2)n1.Cc1ccnc(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)O[C@H](C)C5CC5)cc4Cl)n(C4CCC4)c3c2)n1
InChIInChI=1S/2C32H33N5O3.C31H30ClN5O3.C31H31N5O3.C30H28ClN5O3.C28H26F3N3O3.C27H24F3N3O3.C24H22F3N3O5S/c1-4-21-16-34-31(35-17-21)40-25-10-12-27-28(15-33)30(37(29(27)14-25)18-22-5-6-22)26-11-9-24(13-19(26)2)36-32(38)39-20(3)23-7-8-23;1-4-21-17-34-31(35-18-21)40-25-11-13-27-28(16-33)30(37(29(27)15-25)24-6-5-7-24)26-12-10-23(14-19(26)2)36-32(38)39-20(3)22-8-9-22;1-3-19-16-34-30(35-17-19)40-23-10-12-24-26(15-33)29(37(28(24)14-23)22-5-4-6-22)25-11-9-21(13-27(25)32)36-31(38)39-18(2)20-7-8-20;1-18-15-22(35-31(37)38-20(3)21-7-8-21)9-11-25(18)29-27(17-32)26-12-10-24(39-30-33-14-13-19(2)34-30)16-28(26)36(29)23-5-4-6-23;1-17-12-13-33-29(34-17)39-22-9-11-23-25(16-32)28(36(27(23)15-22)21-4-3-5-21)24-10-8-20(14-26(24)31)35-30(37)38-18(2)19-6-7-19;1-17(2)36-27(35)33-21-10-7-19(8-11-21)24-14-20-9-12-22(15-25(20)34(24)16-18-5-6-18)37-26-23(28(29,30)31)4-3-13-32-26;1-17(27(28,29)30)35-26(34)32-21-10-7-19(8-11-21)23-14-20-9-12-22(36-25-4-2-3-13-31-25)15-24(20)33(23)16-18-5-6-18;1-14(24(25,26)27)35-23(31)29-16-5-3-15(4-6-16)22-20(12-28)19-10-9-18(34-13-36(2,32)33)11-21(19)30(22)17-7-8-17/h9-14,16-17,20,22-23H,4-8,18H2,1-3H3,(H,36,38);10-15,17-18,20,22,24H,4-9H2,1-3H3,(H,36,38);9-14,16-18,20,22H,3-8H2,1-2H3,(H,36,38);9-16,20-21,23H,4-8H2,1-3H3,(H,35,37);8-15,18-19,21H,3-7H2,1-2H3,(H,35,37);3-4,7-15,17-18H,5-6,16H2,1-2H3,(H,33,35);2-4,7-15,17-18H,5-6,16H2,1H3,(H,32,34);3-6,9-11,14,17H,7-8,13H2,1-2H3,(H,29,31)/t2*20-;18-;20-;18-;;17-;14-/m11111.11/s1
InChIKeyNANJAAVYAIDUPD-UJCGWKFFSA-N
MW4217.57 g/mol
LogP59.07
Rot. Bonds60

About [(1R)-1-cyclopropylethyl] N-[3-chloro-4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[3-chloro-4-[3-cyano-1-cyclobutyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclopropyl-6-(methylsulfonylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[1-(cyclopropylmethyl)-6-pyridin-2-yloxyindol-2-yl]phenyl]carbamate

[(1R)-1-cyclopropylethyl] N-[3-chloro-4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[3-chloro-4-[3-cyano-1-cyclobutyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclopropyl-6-(methylsulfonylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[1-(cyclopropylmethyl)-6-pyridin-2-yloxyindol-2-yl]phenyl]carbamate (PubChem CID 159725062) has the molecular formula C235H227Cl2F9N34O26S and a molecular weight of 4217.57 g/mol. Its IUPAC name is [(1R)-1-cyclopropylethyl] N-[3-chloro-4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[3-chloro-4-[3-cyano-1-cyclobutyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclopropyl-6-(methylsulfonylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[1-(cyclopropylmethyl)-6-pyridin-2-yloxyindol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Name[(1R)-1-cyclopropylethyl] N-[3-chloro-4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[3-chloro-4-[3-cyano-1-cyclobutyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclopropyl-6-(methylsulfonylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[1-(cyclopropylmethyl)-6-pyridin-2-yloxyindol-2-yl]phenyl]carbamate
PubChem CID159725062
Molecular FormulaC235H227Cl2F9N34O26S
Molecular Weight4217.57 g/mol
Exact Mass4213.64
IUPAC Name[(1R)-1-cyclopropylethyl] N-[3-chloro-4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[3-chloro-4-[3-cyano-1-cyclobutyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclopropyl-6-(methylsulfonylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[1-(cyclopropylmethyl)-6-pyridin-2-yloxyindol-2-yl]phenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(-c2cc3ccc(Oc4ncccc4C(F)(F)F)cc3n2CC2CC2)cc1.CCc1cnc(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)O[C@H](C)C5CC5)cc4C)n(C4CCC4)c3c2)nc1.CCc1cnc(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)O[C@H](C)C5CC5)cc4C)n(CC4CC4)c3c2)nc1.CCc1cnc(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)O[C@H](C)C5CC5)cc4Cl)n(C4CCC4)c3c2)nc1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCS(C)(=O)=O)cc3n2C2CC2)cc1)C(F)(F)F.C[C@@H](OC(=O)Nc1ccc(-c2cc3ccc(Oc4ccccn4)cc3n2CC2CC2)cc1)C(F)(F)F.Cc1ccnc(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)O[C@H](C)C5CC5)cc4C)n(C4CCC4)c3c2)n1.Cc1ccnc(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)O[C@H](C)C5CC5)cc4Cl)n(C4CCC4)c3c2)n1
InChIInChI=1S/2C32H33N5O3.C31H30ClN5O3.C31H31N5O3.C30H28ClN5O3.C28H26F3N3O3.C27H24F3N3O3.C24H22F3N3O5S/c1-4-21-16-34-31(35-17-21)40-25-10-12-27-28(15-33)30(37(29(27)14-25)18-22-5-6-22)26-11-9-24(13-19(26)2)36-32(38)39-20(3)23-7-8-23;1-4-21-17-34-31(35-18-21)40-25-11-13-27-28(16-33)30(37(29(27)15-25)24-6-5-7-24)26-12-10-23(14-19(26)2)36-32(38)39-20(3)22-8-9-22;1-3-19-16-34-30(35-17-19)40-23-10-12-24-26(15-33)29(37(28(24)14-23)22-5-4-6-22)25-11-9-21(13-27(25)32)36-31(38)39-18(2)20-7-8-20;1-18-15-22(35-31(37)38-20(3)21-7-8-21)9-11-25(18)29-27(17-32)26-12-10-24(39-30-33-14-13-19(2)34-30)16-28(26)36(29)23-5-4-6-23;1-17-12-13-33-29(34-17)39-22-9-11-23-25(16-32)28(36(27(23)15-22)21-4-3-5-21)24-10-8-20(14-26(24)31)35-30(37)38-18(2)19-6-7-19;1-17(2)36-27(35)33-21-10-7-19(8-11-21)24-14-20-9-12-22(15-25(20)34(24)16-18-5-6-18)37-26-23(28(29,30)31)4-3-13-32-26;1-17(27(28,29)30)35-26(34)32-21-10-7-19(8-11-21)23-14-20-9-12-22(36-25-4-2-3-13-31-25)15-24(20)33(23)16-18-5-6-18;1-14(24(25,26)27)35-23(31)29-16-5-3-15(4-6-16)22-20(12-28)19-10-9-18(34-13-36(2,32)33)11-21(19)30(22)17-7-8-17/h9-14,16-17,20,22-23H,4-8,18H2,1-3H3,(H,36,38);10-15,17-18,20,22,24H,4-9H2,1-3H3,(H,36,38);9-14,16-18,20,22H,3-8H2,1-2H3,(H,36,38);9-16,20-21,23H,4-8H2,1-3H3,(H,35,37);8-15,18-19,21H,3-7H2,1-2H3,(H,35,37);3-4,7-15,17-18H,5-6,16H2,1-2H3,(H,33,35);2-4,7-15,17-18H,5-6,16H2,1H3,(H,32,34);3-6,9-11,14,17H,7-8,13H2,1-2H3,(H,29,31)/t2*20-;18-;20-;18-;;17-;14-/m11111.11/s1
InChIKeyNANJAAVYAIDUPD-UJCGWKFFSA-N
XLogP59.07
TPSA751.48 Ų
H-Bond Donors8
H-Bond Acceptors52
Rotatable Bonds60
Heavy Atoms307
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004217.57
LogP ≤ 559.07
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1052

Analyze [(1R)-1-cyclopropylethyl] N-[3-chloro-4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[3-chloro-4-[3-cyano-1-cyclobutyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclopropyl-6-(methylsulfonylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[1-(cyclopropylmethyl)-6-pyridin-2-yloxyindol-2-yl]phenyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-cyclopropylethyl] N-[3-chloro-4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[3-chloro-4-[3-cyano-1-cyclobutyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclopropyl-6-(methylsulfonylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[1-(cyclopropylmethyl)-6-pyridin-2-yloxyindol-2-yl]phenyl]carbamate?
The IUPAC name of [(1R)-1-cyclopropylethyl] N-[3-chloro-4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[3-chloro-4-[3-cyano-1-cyclobutyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclopropyl-6-(methylsulfonylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[1-(cyclopropylmethyl)-6-pyridin-2-yloxyindol-2-yl]phenyl]carbamate (CID 159725062) is [(1R)-1-cyclopropylethyl] N-[3-chloro-4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[3-chloro-4-[3-cyano-1-cyclobutyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclopropyl-6-(methylsulfonylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[1-(cyclopropylmethyl)-6-pyridin-2-yloxyindol-2-yl]phenyl]carbamate.
What is the SMILES notation for [(1R)-1-cyclopropylethyl] N-[3-chloro-4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[3-chloro-4-[3-cyano-1-cyclobutyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclopropyl-6-(methylsulfonylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[1-(cyclopropylmethyl)-6-pyridin-2-yloxyindol-2-yl]phenyl]carbamate?
The canonical SMILES for [(1R)-1-cyclopropylethyl] N-[3-chloro-4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[3-chloro-4-[3-cyano-1-cyclobutyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclopropyl-6-(methylsulfonylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[1-(cyclopropylmethyl)-6-pyridin-2-yloxyindol-2-yl]phenyl]carbamate is CC(C)OC(=O)Nc1ccc(-c2cc3ccc(Oc4ncccc4C(F)(F)F)cc3n2CC2CC2)cc1.CCc1cnc(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)O[C@H](C)C5CC5)cc4C)n(C4CCC4)c3c2)nc1.CCc1cnc(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)O[C@H](C)C5CC5)cc4C)n(CC4CC4)c3c2)nc1.CCc1cnc(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)O[C@H](C)C5CC5)cc4Cl)n(C4CCC4)c3c2)nc1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCS(C)(=O)=O)cc3n2C2CC2)cc1)C(F)(F)F.C[C@@H](OC(=O)Nc1ccc(-c2cc3ccc(Oc4ccccn4)cc3n2CC2CC2)cc1)C(F)(F)F.Cc1ccnc(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)O[C@H](C)C5CC5)cc4C)n(C4CCC4)c3c2)n1.Cc1ccnc(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)O[C@H](C)C5CC5)cc4Cl)n(C4CCC4)c3c2)n1.
What is the InChIKey of [(1R)-1-cyclopropylethyl] N-[3-chloro-4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[3-chloro-4-[3-cyano-1-cyclobutyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclopropyl-6-(methylsulfonylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[1-(cyclopropylmethyl)-6-pyridin-2-yloxyindol-2-yl]phenyl]carbamate?
The InChIKey is NANJAAVYAIDUPD-UJCGWKFFSA-N. The full InChI is InChI=1S/2C32H33N5O3.C31H30ClN5O3.C31H31N5O3.C30H28ClN5O3.C28H26F3N3O3.C27H24F3N3O3.C24H22F3N3O5S/c1-4-21-16-34-31(35-17-21)40-25-10-12-27-28(15-33)30(37(29(27)14-25)18-22-5-6-22)26-11-9-24(13-19(26)2)36-32(38)39-20(3)23-7-8-23;1-4-21-17-34-31(35-18-21)40-25-11-13-27-28(16-33)30(37(29(27)15-25)24-6-5-7-24)26-12-10-23(14-19(26)2)36-32(38)39-20(3)22-8-9-22;1-3-19-16-34-30(35-17-19)40-23-10-12-24-26(15-33)29(37(28(24)14-23)22-5-4-6-22)25-11-9-21(13-27(25)32)36-31(38)39-18(2)20-7-8-20;1-18-15-22(35-31(37)38-20(3)21-7-8-21)9-11-25(18)29-27(17-32)26-12-10-24(39-30-33-14-13-19(2)34-30)16-28(26)36(29)23-5-4-6-23;1-17-12-13-33-29(34-17)39-22-9-11-23-25(16-32)28(36(27(23)15-22)21-4-3-5-21)24-10-8-20(14-26(24)31)35-30(37)38-18(2)19-6-7-19;1-17(2)36-27(35)33-21-10-7-19(8-11-21)24-14-20-9-12-22(15-25(20)34(24)16-18-5-6-18)37-26-23(28(29,30)31)4-3-13-32-26;1-17(27(28,29)30)35-26(34)32-21-10-7-19(8-11-21)23-14-20-9-12-22(36-25-4-2-3-13-31-25)15-24(20)33(23)16-18-5-6-18;1-14(24(25,26)27)35-23(31)29-16-5-3-15(4-6-16)22-20(12-28)19-10-9-18(34-13-36(2,32)33)11-21(19)30(22)17-7-8-17/h9-14,16-17,20,22-23H,4-8,18H2,1-3H3,(H,36,38);10-15,17-18,20,22,24H,4-9H2,1-3H3,(H,36,38);9-14,16-18,20,22H,3-8H2,1-2H3,(H,36,38);9-16,20-21,23H,4-8H2,1-3H3,(H,35,37);8-15,18-19,21H,3-7H2,1-2H3,(H,35,37);3-4,7-15,17-18H,5-6,16H2,1-2H3,(H,33,35);2-4,7-15,17-18H,5-6,16H2,1H3,(H,32,34);3-6,9-11,14,17H,7-8,13H2,1-2H3,(H,29,31)/t2*20-;18-;20-;18-;;17-;14-/m11111.11/s1.
What are the key properties of [(1R)-1-cyclopropylethyl] N-[3-chloro-4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[3-chloro-4-[3-cyano-1-cyclobutyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclopropyl-6-(methylsulfonylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[1-(cyclopropylmethyl)-6-pyridin-2-yloxyindol-2-yl]phenyl]carbamate?
[(1R)-1-cyclopropylethyl] N-[3-chloro-4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[3-chloro-4-[3-cyano-1-cyclobutyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclopropyl-6-(methylsulfonylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[1-(cyclopropylmethyl)-6-pyridin-2-yloxyindol-2-yl]phenyl]carbamate has a molecular weight of 4217.57 g/mol, XLogP of 59.07, 60 rotatable bonds, 8 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-cyclopropylethyl] N-[3-chloro-4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[3-chloro-4-[3-cyano-1-cyclobutyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclopropyl-6-(methylsulfonylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[1-(cyclopropylmethyl)-6-pyridin-2-yloxyindol-2-yl]phenyl]carbamate is sourced from PubChem (CID 159725062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).