2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-ethylsulfonyl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methoxy-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methylsulfonyl-1H-pyrrolo[3,4-c]pyridin-3-one;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]ethanesulfonamide;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]methanesulfonamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(S)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-(difluoromethyl)-1,3-thiazol-2-yl]acetamide

C112H132F2N20O17S11 — CID 165059776

IUPAC2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-ethylsulfonyl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methoxy-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methylsulfonyl-1H-pyrrolo[3,4-c]pyridin-3-one;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]ethanesulfonamide;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]methanesulfonamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(S)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-(difluoromethyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C(F)F)c(-c2cc3c(c([S@](C)=O)c2)C(=O)N([C@@H](C)C2CC2)C3)s1.CCS(=O)(=O)Nc1nc(-c2sc(C)nc2C)cc2c1C(=O)N([C@@H](C)C1CC1)C2.CCS(=O)(=O)c1nc(-c2sc(C)nc2C)cc2c1C(=O)N([C@@H](C)C1CC1)C2.COc1nc(-c2sc(C)nc2C)cc2c1C(=O)N([C@@H](C)C1CC1)C2.Cc1nc(C)c(-c2cc3c(c(NS(C)(=O)=O)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.Cc1nc(C)c(-c2cc3c(c(S(C)(=O)=O)n2)C(=O)N([C@@H](C)C2CC2)C3)s1
InChIInChI=1S/C20H21F2N3O3S2.C19H24N4O3S2.C19H23N3O3S2.C18H22N4O3S2.C18H21N3O3S2.C18H21N3O2S/c1-9(11-4-5-11)25-8-13-6-12(7-14(30(3)28)15(13)19(25)27)17-16(18(21)22)24-20(29-17)23-10(2)26;1-5-28(25,26)22-18-16-14(9-23(19(16)24)11(3)13-6-7-13)8-15(21-18)17-10(2)20-12(4)27-17;1-5-27(24,25)18-16-14(9-22(19(16)23)11(3)13-6-7-13)8-15(21-18)17-10(2)20-12(4)26-17;1-9-16(26-11(3)19-9)14-7-13-8-22(10(2)12-5-6-12)18(23)15(13)17(20-14)21-27(4,24)25;1-9-16(25-11(3)19-9)14-7-13-8-21(10(2)12-5-6-12)18(22)15(13)17(20-14)26(4,23)24;1-9-16(24-11(3)19-9)14-7-13-8-21(10(2)12-5-6-12)18(22)15(13)17(20-14)23-4/h6-7,9,11,18H,4-5,8H2,1-3H3,(H,23,24,26);8,11,13H,5-7,9H2,1-4H3,(H,21,22);8,11,13H,5-7,9H2,1-4H3;7,10,12H,5-6,8H2,1-4H3,(H,20,21);7,10,12H,5-6,8H2,1-4H3;7,10,12H,5-6,8H2,1-4H3/t9-,30-;2*11-;3*10-/m000000/s1
InChIKeyQZXBQAQZFUANBP-DKGWRTJGSA-N
MW2421.14 g/mol
LogP20.42
Rot. Bonds30

About 2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-ethylsulfonyl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methoxy-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methylsulfonyl-1H-pyrrolo[3,4-c]pyridin-3-one;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]ethanesulfonamide;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]methanesulfonamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(S)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-(difluoromethyl)-1,3-thiazol-2-yl]acetamide

2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-ethylsulfonyl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methoxy-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methylsulfonyl-1H-pyrrolo[3,4-c]pyridin-3-one;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]ethanesulfonamide;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]methanesulfonamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(S)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-(difluoromethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 165059776) has the molecular formula C112H132F2N20O17S11 and a molecular weight of 2421.14 g/mol. Its IUPAC name is 2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-ethylsulfonyl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methoxy-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methylsulfonyl-1H-pyrrolo[3,4-c]pyridin-3-one;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]ethanesulfonamide;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]methanesulfonamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(S)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-(difluoromethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-ethylsulfonyl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methoxy-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methylsulfonyl-1H-pyrrolo[3,4-c]pyridin-3-one;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]ethanesulfonamide;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]methanesulfonamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(S)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-(difluoromethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID165059776
Molecular FormulaC112H132F2N20O17S11
Molecular Weight2421.14 g/mol
Exact Mass2418.70
IUPAC Name2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-ethylsulfonyl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methoxy-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methylsulfonyl-1H-pyrrolo[3,4-c]pyridin-3-one;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]ethanesulfonamide;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]methanesulfonamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(S)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-(difluoromethyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C(F)F)c(-c2cc3c(c([S@](C)=O)c2)C(=O)N([C@@H](C)C2CC2)C3)s1.CCS(=O)(=O)Nc1nc(-c2sc(C)nc2C)cc2c1C(=O)N([C@@H](C)C1CC1)C2.CCS(=O)(=O)c1nc(-c2sc(C)nc2C)cc2c1C(=O)N([C@@H](C)C1CC1)C2.COc1nc(-c2sc(C)nc2C)cc2c1C(=O)N([C@@H](C)C1CC1)C2.Cc1nc(C)c(-c2cc3c(c(NS(C)(=O)=O)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.Cc1nc(C)c(-c2cc3c(c(S(C)(=O)=O)n2)C(=O)N([C@@H](C)C2CC2)C3)s1
InChIInChI=1S/C20H21F2N3O3S2.C19H24N4O3S2.C19H23N3O3S2.C18H22N4O3S2.C18H21N3O3S2.C18H21N3O2S/c1-9(11-4-5-11)25-8-13-6-12(7-14(30(3)28)15(13)19(25)27)17-16(18(21)22)24-20(29-17)23-10(2)26;1-5-28(25,26)22-18-16-14(9-23(19(16)24)11(3)13-6-7-13)8-15(21-18)17-10(2)20-12(4)27-17;1-5-27(24,25)18-16-14(9-22(19(16)23)11(3)13-6-7-13)8-15(21-18)17-10(2)20-12(4)26-17;1-9-16(26-11(3)19-9)14-7-13-8-22(10(2)12-5-6-12)18(23)15(13)17(20-14)21-27(4,24)25;1-9-16(25-11(3)19-9)14-7-13-8-21(10(2)12-5-6-12)18(22)15(13)17(20-14)26(4,23)24;1-9-16(24-11(3)19-9)14-7-13-8-21(10(2)12-5-6-12)18(22)15(13)17(20-14)23-4/h6-7,9,11,18H,4-5,8H2,1-3H3,(H,23,24,26);8,11,13H,5-7,9H2,1-4H3,(H,21,22);8,11,13H,5-7,9H2,1-4H3;7,10,12H,5-6,8H2,1-4H3,(H,20,21);7,10,12H,5-6,8H2,1-4H3;7,10,12H,5-6,8H2,1-4H3/t9-,30-;2*11-;3*10-/m000000/s1
InChIKeyQZXBQAQZFUANBP-DKGWRTJGSA-N
XLogP20.42
TPSA479.67 Ų
H-Bond Donors3
H-Bond Acceptors34
Rotatable Bonds30
Heavy Atoms162
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002421.14
LogP ≤ 520.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1034

Analyze 2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-ethylsulfonyl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methoxy-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methylsulfonyl-1H-pyrrolo[3,4-c]pyridin-3-one;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]ethanesulfonamide;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]methanesulfonamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(S)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-(difluoromethyl)-1,3-thiazol-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-ethylsulfonyl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methoxy-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methylsulfonyl-1H-pyrrolo[3,4-c]pyridin-3-one;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]ethanesulfonamide;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]methanesulfonamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(S)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-(difluoromethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-ethylsulfonyl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methoxy-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methylsulfonyl-1H-pyrrolo[3,4-c]pyridin-3-one;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]ethanesulfonamide;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]methanesulfonamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(S)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-(difluoromethyl)-1,3-thiazol-2-yl]acetamide (CID 165059776) is 2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-ethylsulfonyl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methoxy-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methylsulfonyl-1H-pyrrolo[3,4-c]pyridin-3-one;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]ethanesulfonamide;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]methanesulfonamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(S)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-(difluoromethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-ethylsulfonyl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methoxy-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methylsulfonyl-1H-pyrrolo[3,4-c]pyridin-3-one;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]ethanesulfonamide;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]methanesulfonamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(S)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-(difluoromethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-ethylsulfonyl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methoxy-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methylsulfonyl-1H-pyrrolo[3,4-c]pyridin-3-one;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]ethanesulfonamide;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]methanesulfonamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(S)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-(difluoromethyl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C(F)F)c(-c2cc3c(c([S@](C)=O)c2)C(=O)N([C@@H](C)C2CC2)C3)s1.CCS(=O)(=O)Nc1nc(-c2sc(C)nc2C)cc2c1C(=O)N([C@@H](C)C1CC1)C2.CCS(=O)(=O)c1nc(-c2sc(C)nc2C)cc2c1C(=O)N([C@@H](C)C1CC1)C2.COc1nc(-c2sc(C)nc2C)cc2c1C(=O)N([C@@H](C)C1CC1)C2.Cc1nc(C)c(-c2cc3c(c(NS(C)(=O)=O)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.Cc1nc(C)c(-c2cc3c(c(S(C)(=O)=O)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.
What is the InChIKey of 2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-ethylsulfonyl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methoxy-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methylsulfonyl-1H-pyrrolo[3,4-c]pyridin-3-one;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]ethanesulfonamide;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]methanesulfonamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(S)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-(difluoromethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is QZXBQAQZFUANBP-DKGWRTJGSA-N. The full InChI is InChI=1S/C20H21F2N3O3S2.C19H24N4O3S2.C19H23N3O3S2.C18H22N4O3S2.C18H21N3O3S2.C18H21N3O2S/c1-9(11-4-5-11)25-8-13-6-12(7-14(30(3)28)15(13)19(25)27)17-16(18(21)22)24-20(29-17)23-10(2)26;1-5-28(25,26)22-18-16-14(9-23(19(16)24)11(3)13-6-7-13)8-15(21-18)17-10(2)20-12(4)27-17;1-5-27(24,25)18-16-14(9-22(19(16)23)11(3)13-6-7-13)8-15(21-18)17-10(2)20-12(4)26-17;1-9-16(26-11(3)19-9)14-7-13-8-22(10(2)12-5-6-12)18(23)15(13)17(20-14)21-27(4,24)25;1-9-16(25-11(3)19-9)14-7-13-8-21(10(2)12-5-6-12)18(22)15(13)17(20-14)26(4,23)24;1-9-16(24-11(3)19-9)14-7-13-8-21(10(2)12-5-6-12)18(22)15(13)17(20-14)23-4/h6-7,9,11,18H,4-5,8H2,1-3H3,(H,23,24,26);8,11,13H,5-7,9H2,1-4H3,(H,21,22);8,11,13H,5-7,9H2,1-4H3;7,10,12H,5-6,8H2,1-4H3,(H,20,21);7,10,12H,5-6,8H2,1-4H3;7,10,12H,5-6,8H2,1-4H3/t9-,30-;2*11-;3*10-/m000000/s1.
What are the key properties of 2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-ethylsulfonyl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methoxy-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methylsulfonyl-1H-pyrrolo[3,4-c]pyridin-3-one;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]ethanesulfonamide;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]methanesulfonamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(S)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-(difluoromethyl)-1,3-thiazol-2-yl]acetamide?
2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-ethylsulfonyl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methoxy-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methylsulfonyl-1H-pyrrolo[3,4-c]pyridin-3-one;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]ethanesulfonamide;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]methanesulfonamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(S)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-(difluoromethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 2421.14 g/mol, XLogP of 20.42, 30 rotatable bonds, 3 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-ethylsulfonyl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methoxy-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methylsulfonyl-1H-pyrrolo[3,4-c]pyridin-3-one;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]ethanesulfonamide;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]methanesulfonamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(S)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-(difluoromethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 165059776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).