2-[(4-chloro-2-methylphenyl)methyl]-1-(2,2-dideuterio-2-fluoroethyl)-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]indole-5-carboxamide;2-[(4-chloro-2-methylphenyl)methyl]-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-1-(1,1,2,2-tetradeuterio-2-hydroxyethyl)indole-5-carboxamide;2-[(4-chloro-2-methylphenyl)methyl]-1-(2-fluoroethyl)-N-[(1R)-2-hydroxy-1-[5-(1,1,2,2,2-pentadeuterioethylsulfonyl)-2-pyridinyl]ethyl]indole-5-carboxamide;1-(2-fluoroethyl)-2-[(4-fluoro-2-methylphenyl)methyl]-N-[(1R)-2-hydroxy-1-[5-(1,1,2,2,2-pentadeuterioethylsulfonyl)-2-pyridinyl]ethyl]indole-5-carboxamide;1-(2-fluoroethyl)-2-[(4-fluoro-2-methylphenyl)methyl]-N-[(1R)-2-hydroxy-1-[4-(trideuteriomethylsulfonyl)phenyl]ethyl]indole-5-carboxamide

C142H147Cl3F6N12O21S5 — CID 159164522

IUPAC2-[(4-chloro-2-methylphenyl)methyl]-1-(2,2-dideuterio-2-fluoroethyl)-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]indole-5-carboxamide;2-[(4-chloro-2-methylphenyl)methyl]-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-1-(1,1,2,2-tetradeuterio-2-hydroxyethyl)indole-5-carboxamide;2-[(4-chloro-2-methylphenyl)methyl]-1-(2-fluoroethyl)-N-[(1R)-2-hydroxy-1-[5-(1,1,2,2,2-pentadeuterioethylsulfonyl)-2-pyridinyl]ethyl]indole-5-carboxamide;1-(2-fluoroethyl)-2-[(4-fluoro-2-methylphenyl)methyl]-N-[(1R)-2-hydroxy-1-[5-(1,1,2,2,2-pentadeuterioethylsulfonyl)-2-pyridinyl]ethyl]indole-5-carboxamide;1-(2-fluoroethyl)-2-[(4-fluoro-2-methylphenyl)methyl]-N-[(1R)-2-hydroxy-1-[4-(trideuteriomethylsulfonyl)phenyl]ethyl]indole-5-carboxamide
SMILES[2H]C([2H])(F)Cn1c(Cc2ccc(Cl)cc2C)cc2cc(C(=O)N[C@@H](CO)c3ccc(S(=O)(=O)CC)cc3)ccc21.[2H]C([2H])(O)C([2H])([2H])n1c(Cc2ccc(Cl)cc2C)cc2cc(C(=O)N[C@@H](CO)c3ccc(S(=O)(=O)CC)cc3)ccc21.[2H]C([2H])([2H])C([2H])([2H])S(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)cc(Cc2ccc(Cl)cc2C)n3CCF)nc1.[2H]C([2H])([2H])C([2H])([2H])S(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)cc(Cc2ccc(F)cc2C)n3CCF)nc1.[2H]C([2H])([2H])S(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)cc(Cc2ccc(F)cc2C)n3CCF)cc1
InChIInChI=1S/C29H30ClFN2O4S.C29H31ClN2O5S.C28H29ClFN3O4S.C28H29F2N3O4S.C28H28F2N2O4S/c1-3-38(36,37)26-9-5-20(6-10-26)27(18-34)32-29(35)22-7-11-28-23(15-22)17-25(33(28)13-12-31)16-21-4-8-24(30)14-19(21)2;1-3-38(36,37)26-9-5-20(6-10-26)27(18-34)31-29(35)22-7-11-28-23(15-22)17-25(32(28)12-13-33)16-21-4-8-24(30)14-19(21)2;1-3-38(36,37)24-7-8-25(31-16-24)26(17-34)32-28(35)20-5-9-27-21(13-20)15-23(33(27)11-10-30)14-19-4-6-22(29)12-18(19)2;1-3-38(36,37)24-7-8-25(31-16-24)26(17-34)32-28(35)20-5-9-27-21(13-20)15-23(33(27)11-10-29)14-19-4-6-22(30)12-18(19)2;1-18-13-23(30)7-3-20(18)15-24-16-22-14-21(6-10-27(22)32(24)12-11-29)28(34)31-26(17-33)19-4-8-25(9-5-19)37(2,35)36/h4-11,14-15,17,27,34H,3,12-13,16,18H2,1-2H3,(H,32,35);4-11,14-15,17,27,33-34H,3,12-13,16,18H2,1-2H3,(H,31,35);2*4-9,12-13,15-16,26,34H,3,10-11,14,17H2,1-2H3,(H,32,35);3-10,13-14,16,26,33H,11-12,15,17H2,1-2H3,(H,31,34)/t2*27-;3*26-/m00000/s1/i12D2;12D2,13D2;2*1D3,3D2;2D3
InChIKeyKKXDGILAAXGBEU-ROAHTMJVSA-N
MW2757.60 g/mol
LogP23.50
Rot. Bonds52

About 2-[(4-chloro-2-methylphenyl)methyl]-1-(2,2-dideuterio-2-fluoroethyl)-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]indole-5-carboxamide;2-[(4-chloro-2-methylphenyl)methyl]-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-1-(1,1,2,2-tetradeuterio-2-hydroxyethyl)indole-5-carboxamide;2-[(4-chloro-2-methylphenyl)methyl]-1-(2-fluoroethyl)-N-[(1R)-2-hydroxy-1-[5-(1,1,2,2,2-pentadeuterioethylsulfonyl)-2-pyridinyl]ethyl]indole-5-carboxamide;1-(2-fluoroethyl)-2-[(4-fluoro-2-methylphenyl)methyl]-N-[(1R)-2-hydroxy-1-[5-(1,1,2,2,2-pentadeuterioethylsulfonyl)-2-pyridinyl]ethyl]indole-5-carboxamide;1-(2-fluoroethyl)-2-[(4-fluoro-2-methylphenyl)methyl]-N-[(1R)-2-hydroxy-1-[4-(trideuteriomethylsulfonyl)phenyl]ethyl]indole-5-carboxamide

2-[(4-chloro-2-methylphenyl)methyl]-1-(2,2-dideuterio-2-fluoroethyl)-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]indole-5-carboxamide;2-[(4-chloro-2-methylphenyl)methyl]-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-1-(1,1,2,2-tetradeuterio-2-hydroxyethyl)indole-5-carboxamide;2-[(4-chloro-2-methylphenyl)methyl]-1-(2-fluoroethyl)-N-[(1R)-2-hydroxy-1-[5-(1,1,2,2,2-pentadeuterioethylsulfonyl)-2-pyridinyl]ethyl]indole-5-carboxamide;1-(2-fluoroethyl)-2-[(4-fluoro-2-methylphenyl)methyl]-N-[(1R)-2-hydroxy-1-[5-(1,1,2,2,2-pentadeuterioethylsulfonyl)-2-pyridinyl]ethyl]indole-5-carboxamide;1-(2-fluoroethyl)-2-[(4-fluoro-2-methylphenyl)methyl]-N-[(1R)-2-hydroxy-1-[4-(trideuteriomethylsulfonyl)phenyl]ethyl]indole-5-carboxamide (PubChem CID 159164522) has the molecular formula C142H147Cl3F6N12O21S5 and a molecular weight of 2757.60 g/mol. Its IUPAC name is 2-[(4-chloro-2-methylphenyl)methyl]-1-(2,2-dideuterio-2-fluoroethyl)-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]indole-5-carboxamide;2-[(4-chloro-2-methylphenyl)methyl]-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-1-(1,1,2,2-tetradeuterio-2-hydroxyethyl)indole-5-carboxamide;2-[(4-chloro-2-methylphenyl)methyl]-1-(2-fluoroethyl)-N-[(1R)-2-hydroxy-1-[5-(1,1,2,2,2-pentadeuterioethylsulfonyl)-2-pyridinyl]ethyl]indole-5-carboxamide;1-(2-fluoroethyl)-2-[(4-fluoro-2-methylphenyl)methyl]-N-[(1R)-2-hydroxy-1-[5-(1,1,2,2,2-pentadeuterioethylsulfonyl)-2-pyridinyl]ethyl]indole-5-carboxamide;1-(2-fluoroethyl)-2-[(4-fluoro-2-methylphenyl)methyl]-N-[(1R)-2-hydroxy-1-[4-(trideuteriomethylsulfonyl)phenyl]ethyl]indole-5-carboxamide.

Molecular Properties

Compound Name2-[(4-chloro-2-methylphenyl)methyl]-1-(2,2-dideuterio-2-fluoroethyl)-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]indole-5-carboxamide;2-[(4-chloro-2-methylphenyl)methyl]-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-1-(1,1,2,2-tetradeuterio-2-hydroxyethyl)indole-5-carboxamide;2-[(4-chloro-2-methylphenyl)methyl]-1-(2-fluoroethyl)-N-[(1R)-2-hydroxy-1-[5-(1,1,2,2,2-pentadeuterioethylsulfonyl)-2-pyridinyl]ethyl]indole-5-carboxamide;1-(2-fluoroethyl)-2-[(4-fluoro-2-methylphenyl)methyl]-N-[(1R)-2-hydroxy-1-[5-(1,1,2,2,2-pentadeuterioethylsulfonyl)-2-pyridinyl]ethyl]indole-5-carboxamide;1-(2-fluoroethyl)-2-[(4-fluoro-2-methylphenyl)methyl]-N-[(1R)-2-hydroxy-1-[4-(trideuteriomethylsulfonyl)phenyl]ethyl]indole-5-carboxamide
PubChem CID159164522
Molecular FormulaC142H147Cl3F6N12O21S5
Molecular Weight2757.60 g/mol
Exact Mass2753.96
IUPAC Name2-[(4-chloro-2-methylphenyl)methyl]-1-(2,2-dideuterio-2-fluoroethyl)-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]indole-5-carboxamide;2-[(4-chloro-2-methylphenyl)methyl]-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-1-(1,1,2,2-tetradeuterio-2-hydroxyethyl)indole-5-carboxamide;2-[(4-chloro-2-methylphenyl)methyl]-1-(2-fluoroethyl)-N-[(1R)-2-hydroxy-1-[5-(1,1,2,2,2-pentadeuterioethylsulfonyl)-2-pyridinyl]ethyl]indole-5-carboxamide;1-(2-fluoroethyl)-2-[(4-fluoro-2-methylphenyl)methyl]-N-[(1R)-2-hydroxy-1-[5-(1,1,2,2,2-pentadeuterioethylsulfonyl)-2-pyridinyl]ethyl]indole-5-carboxamide;1-(2-fluoroethyl)-2-[(4-fluoro-2-methylphenyl)methyl]-N-[(1R)-2-hydroxy-1-[4-(trideuteriomethylsulfonyl)phenyl]ethyl]indole-5-carboxamide
SMILES[2H]C([2H])(F)Cn1c(Cc2ccc(Cl)cc2C)cc2cc(C(=O)N[C@@H](CO)c3ccc(S(=O)(=O)CC)cc3)ccc21.[2H]C([2H])(O)C([2H])([2H])n1c(Cc2ccc(Cl)cc2C)cc2cc(C(=O)N[C@@H](CO)c3ccc(S(=O)(=O)CC)cc3)ccc21.[2H]C([2H])([2H])C([2H])([2H])S(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)cc(Cc2ccc(Cl)cc2C)n3CCF)nc1.[2H]C([2H])([2H])C([2H])([2H])S(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)cc(Cc2ccc(F)cc2C)n3CCF)nc1.[2H]C([2H])([2H])S(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)cc(Cc2ccc(F)cc2C)n3CCF)cc1
InChIInChI=1S/C29H30ClFN2O4S.C29H31ClN2O5S.C28H29ClFN3O4S.C28H29F2N3O4S.C28H28F2N2O4S/c1-3-38(36,37)26-9-5-20(6-10-26)27(18-34)32-29(35)22-7-11-28-23(15-22)17-25(33(28)13-12-31)16-21-4-8-24(30)14-19(21)2;1-3-38(36,37)26-9-5-20(6-10-26)27(18-34)31-29(35)22-7-11-28-23(15-22)17-25(32(28)12-13-33)16-21-4-8-24(30)14-19(21)2;1-3-38(36,37)24-7-8-25(31-16-24)26(17-34)32-28(35)20-5-9-27-21(13-20)15-23(33(27)11-10-30)14-19-4-6-22(29)12-18(19)2;1-3-38(36,37)24-7-8-25(31-16-24)26(17-34)32-28(35)20-5-9-27-21(13-20)15-23(33(27)11-10-29)14-19-4-6-22(30)12-18(19)2;1-18-13-23(30)7-3-20(18)15-24-16-22-14-21(6-10-27(22)32(24)12-11-29)28(34)31-26(17-33)19-4-8-25(9-5-19)37(2,35)36/h4-11,14-15,17,27,34H,3,12-13,16,18H2,1-2H3,(H,32,35);4-11,14-15,17,27,33-34H,3,12-13,16,18H2,1-2H3,(H,31,35);2*4-9,12-13,15-16,26,34H,3,10-11,14,17H2,1-2H3,(H,32,35);3-10,13-14,16,26,33H,11-12,15,17H2,1-2H3,(H,31,34)/t2*27-;3*26-/m00000/s1/i12D2;12D2,13D2;2*1D3,3D2;2D3
InChIKeyKKXDGILAAXGBEU-ROAHTMJVSA-N
XLogP23.50
TPSA488.01 Ų
H-Bond Donors11
H-Bond Acceptors28
Rotatable Bonds52
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002757.60
LogP ≤ 523.50
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1028

Analyze 2-[(4-chloro-2-methylphenyl)methyl]-1-(2,2-dideuterio-2-fluoroethyl)-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]indole-5-carboxamide;2-[(4-chloro-2-methylphenyl)methyl]-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-1-(1,1,2,2-tetradeuterio-2-hydroxyethyl)indole-5-carboxamide;2-[(4-chloro-2-methylphenyl)methyl]-1-(2-fluoroethyl)-N-[(1R)-2-hydroxy-1-[5-(1,1,2,2,2-pentadeuterioethylsulfonyl)-2-pyridinyl]ethyl]indole-5-carboxamide;1-(2-fluoroethyl)-2-[(4-fluoro-2-methylphenyl)methyl]-N-[(1R)-2-hydroxy-1-[5-(1,1,2,2,2-pentadeuterioethylsulfonyl)-2-pyridinyl]ethyl]indole-5-carboxamide;1-(2-fluoroethyl)-2-[(4-fluoro-2-methylphenyl)methyl]-N-[(1R)-2-hydroxy-1-[4-(trideuteriomethylsulfonyl)phenyl]ethyl]indole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-methylphenyl)methyl]-1-(2,2-dideuterio-2-fluoroethyl)-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]indole-5-carboxamide;2-[(4-chloro-2-methylphenyl)methyl]-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-1-(1,1,2,2-tetradeuterio-2-hydroxyethyl)indole-5-carboxamide;2-[(4-chloro-2-methylphenyl)methyl]-1-(2-fluoroethyl)-N-[(1R)-2-hydroxy-1-[5-(1,1,2,2,2-pentadeuterioethylsulfonyl)-2-pyridinyl]ethyl]indole-5-carboxamide;1-(2-fluoroethyl)-2-[(4-fluoro-2-methylphenyl)methyl]-N-[(1R)-2-hydroxy-1-[5-(1,1,2,2,2-pentadeuterioethylsulfonyl)-2-pyridinyl]ethyl]indole-5-carboxamide;1-(2-fluoroethyl)-2-[(4-fluoro-2-methylphenyl)methyl]-N-[(1R)-2-hydroxy-1-[4-(trideuteriomethylsulfonyl)phenyl]ethyl]indole-5-carboxamide?
The IUPAC name of 2-[(4-chloro-2-methylphenyl)methyl]-1-(2,2-dideuterio-2-fluoroethyl)-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]indole-5-carboxamide;2-[(4-chloro-2-methylphenyl)methyl]-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-1-(1,1,2,2-tetradeuterio-2-hydroxyethyl)indole-5-carboxamide;2-[(4-chloro-2-methylphenyl)methyl]-1-(2-fluoroethyl)-N-[(1R)-2-hydroxy-1-[5-(1,1,2,2,2-pentadeuterioethylsulfonyl)-2-pyridinyl]ethyl]indole-5-carboxamide;1-(2-fluoroethyl)-2-[(4-fluoro-2-methylphenyl)methyl]-N-[(1R)-2-hydroxy-1-[5-(1,1,2,2,2-pentadeuterioethylsulfonyl)-2-pyridinyl]ethyl]indole-5-carboxamide;1-(2-fluoroethyl)-2-[(4-fluoro-2-methylphenyl)methyl]-N-[(1R)-2-hydroxy-1-[4-(trideuteriomethylsulfonyl)phenyl]ethyl]indole-5-carboxamide (CID 159164522) is 2-[(4-chloro-2-methylphenyl)methyl]-1-(2,2-dideuterio-2-fluoroethyl)-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]indole-5-carboxamide;2-[(4-chloro-2-methylphenyl)methyl]-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-1-(1,1,2,2-tetradeuterio-2-hydroxyethyl)indole-5-carboxamide;2-[(4-chloro-2-methylphenyl)methyl]-1-(2-fluoroethyl)-N-[(1R)-2-hydroxy-1-[5-(1,1,2,2,2-pentadeuterioethylsulfonyl)-2-pyridinyl]ethyl]indole-5-carboxamide;1-(2-fluoroethyl)-2-[(4-fluoro-2-methylphenyl)methyl]-N-[(1R)-2-hydroxy-1-[5-(1,1,2,2,2-pentadeuterioethylsulfonyl)-2-pyridinyl]ethyl]indole-5-carboxamide;1-(2-fluoroethyl)-2-[(4-fluoro-2-methylphenyl)methyl]-N-[(1R)-2-hydroxy-1-[4-(trideuteriomethylsulfonyl)phenyl]ethyl]indole-5-carboxamide.
What is the SMILES notation for 2-[(4-chloro-2-methylphenyl)methyl]-1-(2,2-dideuterio-2-fluoroethyl)-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]indole-5-carboxamide;2-[(4-chloro-2-methylphenyl)methyl]-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-1-(1,1,2,2-tetradeuterio-2-hydroxyethyl)indole-5-carboxamide;2-[(4-chloro-2-methylphenyl)methyl]-1-(2-fluoroethyl)-N-[(1R)-2-hydroxy-1-[5-(1,1,2,2,2-pentadeuterioethylsulfonyl)-2-pyridinyl]ethyl]indole-5-carboxamide;1-(2-fluoroethyl)-2-[(4-fluoro-2-methylphenyl)methyl]-N-[(1R)-2-hydroxy-1-[5-(1,1,2,2,2-pentadeuterioethylsulfonyl)-2-pyridinyl]ethyl]indole-5-carboxamide;1-(2-fluoroethyl)-2-[(4-fluoro-2-methylphenyl)methyl]-N-[(1R)-2-hydroxy-1-[4-(trideuteriomethylsulfonyl)phenyl]ethyl]indole-5-carboxamide?
The canonical SMILES for 2-[(4-chloro-2-methylphenyl)methyl]-1-(2,2-dideuterio-2-fluoroethyl)-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]indole-5-carboxamide;2-[(4-chloro-2-methylphenyl)methyl]-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-1-(1,1,2,2-tetradeuterio-2-hydroxyethyl)indole-5-carboxamide;2-[(4-chloro-2-methylphenyl)methyl]-1-(2-fluoroethyl)-N-[(1R)-2-hydroxy-1-[5-(1,1,2,2,2-pentadeuterioethylsulfonyl)-2-pyridinyl]ethyl]indole-5-carboxamide;1-(2-fluoroethyl)-2-[(4-fluoro-2-methylphenyl)methyl]-N-[(1R)-2-hydroxy-1-[5-(1,1,2,2,2-pentadeuterioethylsulfonyl)-2-pyridinyl]ethyl]indole-5-carboxamide;1-(2-fluoroethyl)-2-[(4-fluoro-2-methylphenyl)methyl]-N-[(1R)-2-hydroxy-1-[4-(trideuteriomethylsulfonyl)phenyl]ethyl]indole-5-carboxamide is [2H]C([2H])(F)Cn1c(Cc2ccc(Cl)cc2C)cc2cc(C(=O)N[C@@H](CO)c3ccc(S(=O)(=O)CC)cc3)ccc21.[2H]C([2H])(O)C([2H])([2H])n1c(Cc2ccc(Cl)cc2C)cc2cc(C(=O)N[C@@H](CO)c3ccc(S(=O)(=O)CC)cc3)ccc21.[2H]C([2H])([2H])C([2H])([2H])S(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)cc(Cc2ccc(Cl)cc2C)n3CCF)nc1.[2H]C([2H])([2H])C([2H])([2H])S(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)cc(Cc2ccc(F)cc2C)n3CCF)nc1.[2H]C([2H])([2H])S(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)cc(Cc2ccc(F)cc2C)n3CCF)cc1.
What is the InChIKey of 2-[(4-chloro-2-methylphenyl)methyl]-1-(2,2-dideuterio-2-fluoroethyl)-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]indole-5-carboxamide;2-[(4-chloro-2-methylphenyl)methyl]-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-1-(1,1,2,2-tetradeuterio-2-hydroxyethyl)indole-5-carboxamide;2-[(4-chloro-2-methylphenyl)methyl]-1-(2-fluoroethyl)-N-[(1R)-2-hydroxy-1-[5-(1,1,2,2,2-pentadeuterioethylsulfonyl)-2-pyridinyl]ethyl]indole-5-carboxamide;1-(2-fluoroethyl)-2-[(4-fluoro-2-methylphenyl)methyl]-N-[(1R)-2-hydroxy-1-[5-(1,1,2,2,2-pentadeuterioethylsulfonyl)-2-pyridinyl]ethyl]indole-5-carboxamide;1-(2-fluoroethyl)-2-[(4-fluoro-2-methylphenyl)methyl]-N-[(1R)-2-hydroxy-1-[4-(trideuteriomethylsulfonyl)phenyl]ethyl]indole-5-carboxamide?
The InChIKey is KKXDGILAAXGBEU-ROAHTMJVSA-N. The full InChI is InChI=1S/C29H30ClFN2O4S.C29H31ClN2O5S.C28H29ClFN3O4S.C28H29F2N3O4S.C28H28F2N2O4S/c1-3-38(36,37)26-9-5-20(6-10-26)27(18-34)32-29(35)22-7-11-28-23(15-22)17-25(33(28)13-12-31)16-21-4-8-24(30)14-19(21)2;1-3-38(36,37)26-9-5-20(6-10-26)27(18-34)31-29(35)22-7-11-28-23(15-22)17-25(32(28)12-13-33)16-21-4-8-24(30)14-19(21)2;1-3-38(36,37)24-7-8-25(31-16-24)26(17-34)32-28(35)20-5-9-27-21(13-20)15-23(33(27)11-10-30)14-19-4-6-22(29)12-18(19)2;1-3-38(36,37)24-7-8-25(31-16-24)26(17-34)32-28(35)20-5-9-27-21(13-20)15-23(33(27)11-10-29)14-19-4-6-22(30)12-18(19)2;1-18-13-23(30)7-3-20(18)15-24-16-22-14-21(6-10-27(22)32(24)12-11-29)28(34)31-26(17-33)19-4-8-25(9-5-19)37(2,35)36/h4-11,14-15,17,27,34H,3,12-13,16,18H2,1-2H3,(H,32,35);4-11,14-15,17,27,33-34H,3,12-13,16,18H2,1-2H3,(H,31,35);2*4-9,12-13,15-16,26,34H,3,10-11,14,17H2,1-2H3,(H,32,35);3-10,13-14,16,26,33H,11-12,15,17H2,1-2H3,(H,31,34)/t2*27-;3*26-/m00000/s1/i12D2;12D2,13D2;2*1D3,3D2;2D3.
What are the key properties of 2-[(4-chloro-2-methylphenyl)methyl]-1-(2,2-dideuterio-2-fluoroethyl)-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]indole-5-carboxamide;2-[(4-chloro-2-methylphenyl)methyl]-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-1-(1,1,2,2-tetradeuterio-2-hydroxyethyl)indole-5-carboxamide;2-[(4-chloro-2-methylphenyl)methyl]-1-(2-fluoroethyl)-N-[(1R)-2-hydroxy-1-[5-(1,1,2,2,2-pentadeuterioethylsulfonyl)-2-pyridinyl]ethyl]indole-5-carboxamide;1-(2-fluoroethyl)-2-[(4-fluoro-2-methylphenyl)methyl]-N-[(1R)-2-hydroxy-1-[5-(1,1,2,2,2-pentadeuterioethylsulfonyl)-2-pyridinyl]ethyl]indole-5-carboxamide;1-(2-fluoroethyl)-2-[(4-fluoro-2-methylphenyl)methyl]-N-[(1R)-2-hydroxy-1-[4-(trideuteriomethylsulfonyl)phenyl]ethyl]indole-5-carboxamide?
2-[(4-chloro-2-methylphenyl)methyl]-1-(2,2-dideuterio-2-fluoroethyl)-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]indole-5-carboxamide;2-[(4-chloro-2-methylphenyl)methyl]-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-1-(1,1,2,2-tetradeuterio-2-hydroxyethyl)indole-5-carboxamide;2-[(4-chloro-2-methylphenyl)methyl]-1-(2-fluoroethyl)-N-[(1R)-2-hydroxy-1-[5-(1,1,2,2,2-pentadeuterioethylsulfonyl)-2-pyridinyl]ethyl]indole-5-carboxamide;1-(2-fluoroethyl)-2-[(4-fluoro-2-methylphenyl)methyl]-N-[(1R)-2-hydroxy-1-[5-(1,1,2,2,2-pentadeuterioethylsulfonyl)-2-pyridinyl]ethyl]indole-5-carboxamide;1-(2-fluoroethyl)-2-[(4-fluoro-2-methylphenyl)methyl]-N-[(1R)-2-hydroxy-1-[4-(trideuteriomethylsulfonyl)phenyl]ethyl]indole-5-carboxamide has a molecular weight of 2757.60 g/mol, XLogP of 23.50, 52 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-methylphenyl)methyl]-1-(2,2-dideuterio-2-fluoroethyl)-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]indole-5-carboxamide;2-[(4-chloro-2-methylphenyl)methyl]-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-1-(1,1,2,2-tetradeuterio-2-hydroxyethyl)indole-5-carboxamide;2-[(4-chloro-2-methylphenyl)methyl]-1-(2-fluoroethyl)-N-[(1R)-2-hydroxy-1-[5-(1,1,2,2,2-pentadeuterioethylsulfonyl)-2-pyridinyl]ethyl]indole-5-carboxamide;1-(2-fluoroethyl)-2-[(4-fluoro-2-methylphenyl)methyl]-N-[(1R)-2-hydroxy-1-[5-(1,1,2,2,2-pentadeuterioethylsulfonyl)-2-pyridinyl]ethyl]indole-5-carboxamide;1-(2-fluoroethyl)-2-[(4-fluoro-2-methylphenyl)methyl]-N-[(1R)-2-hydroxy-1-[4-(trideuteriomethylsulfonyl)phenyl]ethyl]indole-5-carboxamide is sourced from PubChem (CID 159164522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).