N-[6-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-2-[(1S)-1-cyclopropylethyl]-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(methanesulfonamido)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-methoxy-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-methyl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-methylsulfonyl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-morpholin-4-yl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide

C118H139N27O19S8 — CID 164978857

IUPACN-[6-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-2-[(1S)-1-cyclopropylethyl]-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(methanesulfonamido)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-methoxy-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-methyl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-methylsulfonyl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-morpholin-4-yl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2cc3c(c(C)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.CC(=O)Nc1nc(C)c(-c2cc3c(c(N4CCOCC4)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.CC(=O)Nc1nc(C)c(-c2cc3c(c(NC(C)=O)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.CC(=O)Nc1nc(C)c(-c2cc3c(c(NS(C)(=O)=O)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.CC(=O)Nc1nc(C)c(-c2cc3c(c(S(C)(=O)=O)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.COc1nc(-c2sc(NC(C)=O)nc2C)cc2c1C(=O)N([C@@H](C)C1CC1)C2
InChIInChI=1S/C22H27N5O3S.C20H23N5O3S.C19H23N5O4S2.C19H22N4O4S2.C19H22N4O3S.C19H22N4O2S/c1-12-19(31-22(23-12)24-14(3)28)17-10-16-11-27(13(2)15-4-5-15)21(29)18(16)20(25-17)26-6-8-30-9-7-26;1-9-17(29-20(21-9)23-12(4)27)15-7-14-8-25(10(2)13-5-6-13)19(28)16(14)18(24-15)22-11(3)26;1-9-16(29-19(20-9)21-11(3)25)14-7-13-8-24(10(2)12-5-6-12)18(26)15(13)17(22-14)23-30(4,27)28;1-9-16(28-19(20-9)21-11(3)24)14-7-13-8-23(10(2)12-5-6-12)18(25)15(13)17(22-14)29(4,26)27;1-9-16(27-19(20-9)21-11(3)24)14-7-13-8-23(10(2)12-5-6-12)18(25)15(13)17(22-14)26-4;1-9-16-14(8-23(18(16)25)11(3)13-5-6-13)7-15(20-9)17-10(2)21-19(26-17)22-12(4)24/h10,13,15H,4-9,11H2,1-3H3,(H,23,24,28);7,10,13H,5-6,8H2,1-4H3,(H,21,23,27)(H,22,24,26);7,10,12H,5-6,8H2,1-4H3,(H,22,23)(H,20,21,25);7,10,12H,5-6,8H2,1-4H3,(H,20,21,24);7,10,12H,5-6,8H2,1-4H3,(H,20,21,24);7,11,13H,5-6,8H2,1-4H3,(H,21,22,24)/t13-;4*10-;11-/m000000/s1
InChIKeyFEIZXWRLJVIWEJ-JDUFOZSHSA-N
MW2496.12 g/mol
LogP18.24
Rot. Bonds30

About N-[6-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-2-[(1S)-1-cyclopropylethyl]-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(methanesulfonamido)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-methoxy-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-methyl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-methylsulfonyl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-morpholin-4-yl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide

N-[6-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-2-[(1S)-1-cyclopropylethyl]-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(methanesulfonamido)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-methoxy-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-methyl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-methylsulfonyl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-morpholin-4-yl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 164978857) has the molecular formula C118H139N27O19S8 and a molecular weight of 2496.12 g/mol. Its IUPAC name is N-[6-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-2-[(1S)-1-cyclopropylethyl]-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(methanesulfonamido)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-methoxy-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-methyl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-methylsulfonyl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-morpholin-4-yl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-2-[(1S)-1-cyclopropylethyl]-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(methanesulfonamido)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-methoxy-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-methyl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-methylsulfonyl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-morpholin-4-yl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID164978857
Molecular FormulaC118H139N27O19S8
Molecular Weight2496.12 g/mol
Exact Mass2493.85
IUPAC NameN-[6-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-2-[(1S)-1-cyclopropylethyl]-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(methanesulfonamido)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-methoxy-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-methyl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-methylsulfonyl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-morpholin-4-yl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2cc3c(c(C)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.CC(=O)Nc1nc(C)c(-c2cc3c(c(N4CCOCC4)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.CC(=O)Nc1nc(C)c(-c2cc3c(c(NC(C)=O)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.CC(=O)Nc1nc(C)c(-c2cc3c(c(NS(C)(=O)=O)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.CC(=O)Nc1nc(C)c(-c2cc3c(c(S(C)(=O)=O)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.COc1nc(-c2sc(NC(C)=O)nc2C)cc2c1C(=O)N([C@@H](C)C1CC1)C2
InChIInChI=1S/C22H27N5O3S.C20H23N5O3S.C19H23N5O4S2.C19H22N4O4S2.C19H22N4O3S.C19H22N4O2S/c1-12-19(31-22(23-12)24-14(3)28)17-10-16-11-27(13(2)15-4-5-15)21(29)18(16)20(25-17)26-6-8-30-9-7-26;1-9-17(29-20(21-9)23-12(4)27)15-7-14-8-25(10(2)13-5-6-13)19(28)16(14)18(24-15)22-11(3)26;1-9-16(29-19(20-9)21-11(3)25)14-7-13-8-24(10(2)12-5-6-12)18(26)15(13)17(22-14)23-30(4,27)28;1-9-16(28-19(20-9)21-11(3)24)14-7-13-8-23(10(2)12-5-6-12)18(25)15(13)17(22-14)29(4,26)27;1-9-16(27-19(20-9)21-11(3)24)14-7-13-8-23(10(2)12-5-6-12)18(25)15(13)17(22-14)26-4;1-9-16-14(8-23(18(16)25)11(3)13-5-6-13)7-15(20-9)17-10(2)21-19(26-17)22-12(4)24/h10,13,15H,4-9,11H2,1-3H3,(H,23,24,28);7,10,13H,5-6,8H2,1-4H3,(H,21,23,27)(H,22,24,26);7,10,12H,5-6,8H2,1-4H3,(H,22,23)(H,20,21,25);7,10,12H,5-6,8H2,1-4H3,(H,20,21,24);7,10,12H,5-6,8H2,1-4H3,(H,20,21,24);7,11,13H,5-6,8H2,1-4H3,(H,21,22,24)/t13-;4*10-;11-/m000000/s1
InChIKeyFEIZXWRLJVIWEJ-JDUFOZSHSA-N
XLogP18.24
TPSA582.25 Ų
H-Bond Donors8
H-Bond Acceptors38
Rotatable Bonds30
Heavy Atoms172
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002496.12
LogP ≤ 518.24
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1038

Analyze N-[6-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-2-[(1S)-1-cyclopropylethyl]-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(methanesulfonamido)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-methoxy-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-methyl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-methylsulfonyl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-morpholin-4-yl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-2-[(1S)-1-cyclopropylethyl]-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(methanesulfonamido)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-methoxy-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-methyl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-methylsulfonyl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-morpholin-4-yl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[6-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-2-[(1S)-1-cyclopropylethyl]-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(methanesulfonamido)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-methoxy-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-methyl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-methylsulfonyl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-morpholin-4-yl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 164978857) is N-[6-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-2-[(1S)-1-cyclopropylethyl]-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(methanesulfonamido)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-methoxy-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-methyl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-methylsulfonyl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-morpholin-4-yl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[6-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-2-[(1S)-1-cyclopropylethyl]-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(methanesulfonamido)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-methoxy-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-methyl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-methylsulfonyl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-morpholin-4-yl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[6-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-2-[(1S)-1-cyclopropylethyl]-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(methanesulfonamido)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-methoxy-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-methyl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-methylsulfonyl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-morpholin-4-yl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2cc3c(c(C)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.CC(=O)Nc1nc(C)c(-c2cc3c(c(N4CCOCC4)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.CC(=O)Nc1nc(C)c(-c2cc3c(c(NC(C)=O)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.CC(=O)Nc1nc(C)c(-c2cc3c(c(NS(C)(=O)=O)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.CC(=O)Nc1nc(C)c(-c2cc3c(c(S(C)(=O)=O)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.COc1nc(-c2sc(NC(C)=O)nc2C)cc2c1C(=O)N([C@@H](C)C1CC1)C2.
What is the InChIKey of N-[6-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-2-[(1S)-1-cyclopropylethyl]-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(methanesulfonamido)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-methoxy-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-methyl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-methylsulfonyl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-morpholin-4-yl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is FEIZXWRLJVIWEJ-JDUFOZSHSA-N. The full InChI is InChI=1S/C22H27N5O3S.C20H23N5O3S.C19H23N5O4S2.C19H22N4O4S2.C19H22N4O3S.C19H22N4O2S/c1-12-19(31-22(23-12)24-14(3)28)17-10-16-11-27(13(2)15-4-5-15)21(29)18(16)20(25-17)26-6-8-30-9-7-26;1-9-17(29-20(21-9)23-12(4)27)15-7-14-8-25(10(2)13-5-6-13)19(28)16(14)18(24-15)22-11(3)26;1-9-16(29-19(20-9)21-11(3)25)14-7-13-8-24(10(2)12-5-6-12)18(26)15(13)17(22-14)23-30(4,27)28;1-9-16(28-19(20-9)21-11(3)24)14-7-13-8-23(10(2)12-5-6-12)18(25)15(13)17(22-14)29(4,26)27;1-9-16(27-19(20-9)21-11(3)24)14-7-13-8-23(10(2)12-5-6-12)18(25)15(13)17(22-14)26-4;1-9-16-14(8-23(18(16)25)11(3)13-5-6-13)7-15(20-9)17-10(2)21-19(26-17)22-12(4)24/h10,13,15H,4-9,11H2,1-3H3,(H,23,24,28);7,10,13H,5-6,8H2,1-4H3,(H,21,23,27)(H,22,24,26);7,10,12H,5-6,8H2,1-4H3,(H,22,23)(H,20,21,25);7,10,12H,5-6,8H2,1-4H3,(H,20,21,24);7,10,12H,5-6,8H2,1-4H3,(H,20,21,24);7,11,13H,5-6,8H2,1-4H3,(H,21,22,24)/t13-;4*10-;11-/m000000/s1.
What are the key properties of N-[6-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-2-[(1S)-1-cyclopropylethyl]-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(methanesulfonamido)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-methoxy-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-methyl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-methylsulfonyl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-morpholin-4-yl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
N-[6-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-2-[(1S)-1-cyclopropylethyl]-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(methanesulfonamido)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-methoxy-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-methyl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-methylsulfonyl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-morpholin-4-yl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 2496.12 g/mol, XLogP of 18.24, 30 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-2-[(1S)-1-cyclopropylethyl]-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(methanesulfonamido)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-methoxy-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-methyl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-methylsulfonyl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-4-morpholin-4-yl-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 164978857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).