N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(dimethylcarbamoylamino)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[4-(cyclopropylsulfonylamino)-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[4-(ethylsulfonylamino)-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[4-methyl-5-[4-morpholin-4-yl-3-oxo-2-[(2R)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-1,3-thiazol-2-yl]acetamide;N-[4-methyl-5-[4-morpholin-4-yl-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-1,3-thiazol-2-yl]acetamide

C98H110F12N26O17S7 — CID 164991206

IUPACN-[5-[2-[(1S)-1-cyclopropylethyl]-4-(dimethylcarbamoylamino)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[4-(cyclopropylsulfonylamino)-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[4-(ethylsulfonylamino)-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[4-methyl-5-[4-morpholin-4-yl-3-oxo-2-[(2R)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-1,3-thiazol-2-yl]acetamide;N-[4-methyl-5-[4-morpholin-4-yl-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2cc3c(c(N4CCOCC4)n2)C(=O)N([C@@H](C)C(F)(F)F)C3)s1.CC(=O)Nc1nc(C)c(-c2cc3c(c(N4CCOCC4)n2)C(=O)N([C@H](C)C(F)(F)F)C3)s1.CC(=O)Nc1nc(C)c(-c2cc3c(c(NC(=O)N(C)C)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.CC(=O)Nc1nc(C)c(-c2cc3c(c(NS(=O)(=O)C4CC4)n2)C(=O)N([C@@H](C)C(F)(F)F)C3)s1.CCS(=O)(=O)Nc1nc(-c2sc(NC(C)=O)nc2C)cc2c1C(=O)N([C@@H](C)C(F)(F)F)C2
InChIInChI=1S/C21H26N6O3S.2C20H22F3N5O3S.C19H20F3N5O4S2.C18H20F3N5O4S2/c1-10-17(31-20(22-10)23-12(3)28)15-8-14-9-27(11(2)13-6-7-13)19(29)16(14)18(24-15)25-21(30)26(4)5;2*1-10-16(32-19(24-10)25-12(3)29)14-8-13-9-28(11(2)20(21,22)23)18(30)15(13)17(26-14)27-4-6-31-7-5-27;1-8-15(32-18(23-8)24-10(3)28)13-6-11-7-27(9(2)19(20,21)22)17(29)14(11)16(25-13)26-33(30,31)12-4-5-12;1-5-32(29,30)25-15-13-11(7-26(16(13)28)9(3)18(19,20)21)6-12(24-15)14-8(2)22-17(31-14)23-10(4)27/h8,11,13H,6-7,9H2,1-5H3,(H,22,23,28)(H,24,25,30);2*8,11H,4-7,9H2,1-3H3,(H,24,25,29);6,9,12H,4-5,7H2,1-3H3,(H,25,26)(H,23,24,28);6,9H,5,7H2,1-4H3,(H,24,25)(H,22,23,27)/t3*11-;2*9-/m01000/s1
InChIKeyGWLWPAFUJBUSTO-AICLAOHCSA-N
MW2376.57 g/mol
LogP16.17
Rot. Bonds25

About N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(dimethylcarbamoylamino)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[4-(cyclopropylsulfonylamino)-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[4-(ethylsulfonylamino)-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[4-methyl-5-[4-morpholin-4-yl-3-oxo-2-[(2R)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-1,3-thiazol-2-yl]acetamide;N-[4-methyl-5-[4-morpholin-4-yl-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-1,3-thiazol-2-yl]acetamide

N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(dimethylcarbamoylamino)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[4-(cyclopropylsulfonylamino)-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[4-(ethylsulfonylamino)-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[4-methyl-5-[4-morpholin-4-yl-3-oxo-2-[(2R)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-1,3-thiazol-2-yl]acetamide;N-[4-methyl-5-[4-morpholin-4-yl-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-1,3-thiazol-2-yl]acetamide (PubChem CID 164991206) has the molecular formula C98H110F12N26O17S7 and a molecular weight of 2376.57 g/mol. Its IUPAC name is N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(dimethylcarbamoylamino)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[4-(cyclopropylsulfonylamino)-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[4-(ethylsulfonylamino)-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[4-methyl-5-[4-morpholin-4-yl-3-oxo-2-[(2R)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-1,3-thiazol-2-yl]acetamide;N-[4-methyl-5-[4-morpholin-4-yl-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[2-[(1S)-1-cyclopropylethyl]-4-(dimethylcarbamoylamino)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[4-(cyclopropylsulfonylamino)-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[4-(ethylsulfonylamino)-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[4-methyl-5-[4-morpholin-4-yl-3-oxo-2-[(2R)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-1,3-thiazol-2-yl]acetamide;N-[4-methyl-5-[4-morpholin-4-yl-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-1,3-thiazol-2-yl]acetamide
PubChem CID164991206
Molecular FormulaC98H110F12N26O17S7
Molecular Weight2376.57 g/mol
Exact Mass2374.64
IUPAC NameN-[5-[2-[(1S)-1-cyclopropylethyl]-4-(dimethylcarbamoylamino)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[4-(cyclopropylsulfonylamino)-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[4-(ethylsulfonylamino)-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[4-methyl-5-[4-morpholin-4-yl-3-oxo-2-[(2R)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-1,3-thiazol-2-yl]acetamide;N-[4-methyl-5-[4-morpholin-4-yl-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2cc3c(c(N4CCOCC4)n2)C(=O)N([C@@H](C)C(F)(F)F)C3)s1.CC(=O)Nc1nc(C)c(-c2cc3c(c(N4CCOCC4)n2)C(=O)N([C@H](C)C(F)(F)F)C3)s1.CC(=O)Nc1nc(C)c(-c2cc3c(c(NC(=O)N(C)C)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.CC(=O)Nc1nc(C)c(-c2cc3c(c(NS(=O)(=O)C4CC4)n2)C(=O)N([C@@H](C)C(F)(F)F)C3)s1.CCS(=O)(=O)Nc1nc(-c2sc(NC(C)=O)nc2C)cc2c1C(=O)N([C@@H](C)C(F)(F)F)C2
InChIInChI=1S/C21H26N6O3S.2C20H22F3N5O3S.C19H20F3N5O4S2.C18H20F3N5O4S2/c1-10-17(31-20(22-10)23-12(3)28)15-8-14-9-27(11(2)13-6-7-13)19(29)16(14)18(24-15)25-21(30)26(4)5;2*1-10-16(32-19(24-10)25-12(3)29)14-8-13-9-28(11(2)20(21,22)23)18(30)15(13)17(26-14)27-4-6-31-7-5-27;1-8-15(32-18(23-8)24-10(3)28)13-6-11-7-27(9(2)19(20,21)22)17(29)14(11)16(25-13)26-33(30,31)12-4-5-12;1-5-32(29,30)25-15-13-11(7-26(16(13)28)9(3)18(19,20)21)6-12(24-15)14-8(2)22-17(31-14)23-10(4)27/h8,11,13H,6-7,9H2,1-5H3,(H,22,23,28)(H,24,25,30);2*8,11H,4-7,9H2,1-3H3,(H,24,25,29);6,9,12H,4-5,7H2,1-3H3,(H,25,26)(H,23,24,28);6,9H,5,7H2,1-4H3,(H,24,25)(H,22,23,27)/t3*11-;2*9-/m01000/s1
InChIKeyGWLWPAFUJBUSTO-AICLAOHCSA-N
XLogP16.17
TPSA525.57 Ų
H-Bond Donors8
H-Bond Acceptors34
Rotatable Bonds25
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002376.57
LogP ≤ 516.17
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1034

Analyze N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(dimethylcarbamoylamino)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[4-(cyclopropylsulfonylamino)-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[4-(ethylsulfonylamino)-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[4-methyl-5-[4-morpholin-4-yl-3-oxo-2-[(2R)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-1,3-thiazol-2-yl]acetamide;N-[4-methyl-5-[4-morpholin-4-yl-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-1,3-thiazol-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(dimethylcarbamoylamino)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[4-(cyclopropylsulfonylamino)-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[4-(ethylsulfonylamino)-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[4-methyl-5-[4-morpholin-4-yl-3-oxo-2-[(2R)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-1,3-thiazol-2-yl]acetamide;N-[4-methyl-5-[4-morpholin-4-yl-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(dimethylcarbamoylamino)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[4-(cyclopropylsulfonylamino)-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[4-(ethylsulfonylamino)-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[4-methyl-5-[4-morpholin-4-yl-3-oxo-2-[(2R)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-1,3-thiazol-2-yl]acetamide;N-[4-methyl-5-[4-morpholin-4-yl-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-1,3-thiazol-2-yl]acetamide (CID 164991206) is N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(dimethylcarbamoylamino)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[4-(cyclopropylsulfonylamino)-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[4-(ethylsulfonylamino)-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[4-methyl-5-[4-morpholin-4-yl-3-oxo-2-[(2R)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-1,3-thiazol-2-yl]acetamide;N-[4-methyl-5-[4-morpholin-4-yl-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(dimethylcarbamoylamino)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[4-(cyclopropylsulfonylamino)-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[4-(ethylsulfonylamino)-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[4-methyl-5-[4-morpholin-4-yl-3-oxo-2-[(2R)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-1,3-thiazol-2-yl]acetamide;N-[4-methyl-5-[4-morpholin-4-yl-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(dimethylcarbamoylamino)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[4-(cyclopropylsulfonylamino)-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[4-(ethylsulfonylamino)-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[4-methyl-5-[4-morpholin-4-yl-3-oxo-2-[(2R)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-1,3-thiazol-2-yl]acetamide;N-[4-methyl-5-[4-morpholin-4-yl-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2cc3c(c(N4CCOCC4)n2)C(=O)N([C@@H](C)C(F)(F)F)C3)s1.CC(=O)Nc1nc(C)c(-c2cc3c(c(N4CCOCC4)n2)C(=O)N([C@H](C)C(F)(F)F)C3)s1.CC(=O)Nc1nc(C)c(-c2cc3c(c(NC(=O)N(C)C)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.CC(=O)Nc1nc(C)c(-c2cc3c(c(NS(=O)(=O)C4CC4)n2)C(=O)N([C@@H](C)C(F)(F)F)C3)s1.CCS(=O)(=O)Nc1nc(-c2sc(NC(C)=O)nc2C)cc2c1C(=O)N([C@@H](C)C(F)(F)F)C2.
What is the InChIKey of N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(dimethylcarbamoylamino)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[4-(cyclopropylsulfonylamino)-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[4-(ethylsulfonylamino)-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[4-methyl-5-[4-morpholin-4-yl-3-oxo-2-[(2R)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-1,3-thiazol-2-yl]acetamide;N-[4-methyl-5-[4-morpholin-4-yl-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is GWLWPAFUJBUSTO-AICLAOHCSA-N. The full InChI is InChI=1S/C21H26N6O3S.2C20H22F3N5O3S.C19H20F3N5O4S2.C18H20F3N5O4S2/c1-10-17(31-20(22-10)23-12(3)28)15-8-14-9-27(11(2)13-6-7-13)19(29)16(14)18(24-15)25-21(30)26(4)5;2*1-10-16(32-19(24-10)25-12(3)29)14-8-13-9-28(11(2)20(21,22)23)18(30)15(13)17(26-14)27-4-6-31-7-5-27;1-8-15(32-18(23-8)24-10(3)28)13-6-11-7-27(9(2)19(20,21)22)17(29)14(11)16(25-13)26-33(30,31)12-4-5-12;1-5-32(29,30)25-15-13-11(7-26(16(13)28)9(3)18(19,20)21)6-12(24-15)14-8(2)22-17(31-14)23-10(4)27/h8,11,13H,6-7,9H2,1-5H3,(H,22,23,28)(H,24,25,30);2*8,11H,4-7,9H2,1-3H3,(H,24,25,29);6,9,12H,4-5,7H2,1-3H3,(H,25,26)(H,23,24,28);6,9H,5,7H2,1-4H3,(H,24,25)(H,22,23,27)/t3*11-;2*9-/m01000/s1.
What are the key properties of N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(dimethylcarbamoylamino)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[4-(cyclopropylsulfonylamino)-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[4-(ethylsulfonylamino)-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[4-methyl-5-[4-morpholin-4-yl-3-oxo-2-[(2R)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-1,3-thiazol-2-yl]acetamide;N-[4-methyl-5-[4-morpholin-4-yl-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-1,3-thiazol-2-yl]acetamide?
N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(dimethylcarbamoylamino)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[4-(cyclopropylsulfonylamino)-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[4-(ethylsulfonylamino)-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[4-methyl-5-[4-morpholin-4-yl-3-oxo-2-[(2R)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-1,3-thiazol-2-yl]acetamide;N-[4-methyl-5-[4-morpholin-4-yl-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 2376.57 g/mol, XLogP of 16.17, 25 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[(1S)-1-cyclopropylethyl]-4-(dimethylcarbamoylamino)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[4-(cyclopropylsulfonylamino)-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[4-(ethylsulfonylamino)-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[4-methyl-5-[4-morpholin-4-yl-3-oxo-2-[(2R)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-1,3-thiazol-2-yl]acetamide;N-[4-methyl-5-[4-morpholin-4-yl-3-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 164991206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).