6-[[4-(3-aminoazetidin-1-yl)-5-bromo-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-prop-1-en-2-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;7-[[4-(azetidin-3-yloxy)-5-bromo-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-amine;1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;N-[1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanesulfonamide;N-[[3-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)cyclobutyl]methyl]methanesulfonamide;ethyl 7-[[5-bromo-6-ethyl-4-(3-hydroxyazetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carboxylate;1,1,1-trifluoropropan-2-one

C140H141Br7F3N53O11S9 — CID 160969916

About 6-[[4-(3-aminoazetidin-1-yl)-5-bromo-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-prop-1-en-2-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;7-[[4-(azetidin-3-yloxy)-5-bromo-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-amine;1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;N-[1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanesulfonamide;N-[[3-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)cyclobutyl]methyl]methanesulfonamide;ethyl 7-[[5-bromo-6-ethyl-4-(3-hydroxyazetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carboxylate;1,1,1-trifluoropropan-2-one

6-[[4-(3-aminoazetidin-1-yl)-5-bromo-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-prop-1-en-2-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;7-[[4-(azetidin-3-yloxy)-5-bromo-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-amine;1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;N-[1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanesulfonamide;N-[[3-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)cyclobutyl]methyl]methanesulfonamide;ethyl 7-[[5-bromo-6-ethyl-4-(3-hydroxyazetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carboxylate;1,1,1-trifluoropropan-2-one (PubChem CID 160969916) has the molecular formula C140H141Br7F3N53O11S9 and a molecular weight of 3646.95 g/mol. Its IUPAC name is 6-[[4-(3-aminoazetidin-1-yl)-5-bromo-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-prop-1-en-2-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;7-[[4-(azetidin-3-yloxy)-5-bromo-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-amine;1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;N-[1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanesulfonamide;N-[[3-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)cyclobutyl]methyl]methanesulfonamide;ethyl 7-[[5-bromo-6-ethyl-4-(3-hydroxyazetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carboxylate;1,1,1-trifluoropropan-2-one.

Molecular Properties

• Compound Name: 6-[[4-(3-aminoazetidin-1-yl)-5-bromo-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-prop-1-en-2-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;7-[[4-(azetidin-3-yloxy)-5-bromo-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-amine;1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;N-[1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanesulfonamide;N-[[3-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)cyclobutyl]methyl]methanesulfonamide;ethyl 7-[[5-bromo-6-ethyl-4-(3-hydroxyazetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carboxylate;1,1,1-trifluoropropan-2-one
• PubChem CID: 160969916
• Molecular Formula: C140H141Br7F3N53O11S9
• Molecular Weight: 3646.95 g/mol
• Exact Mass: 3637.38
• IUPAC Name: 6-[[4-(3-aminoazetidin-1-yl)-5-bromo-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-prop-1-en-2-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;7-[[4-(azetidin-3-yloxy)-5-bromo-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-amine;1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;N-[1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanesulfonamide;N-[[3-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)cyclobutyl]methyl]methanesulfonamide;ethyl 7-[[5-bromo-6-ethyl-4-(3-hydroxyazetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carboxylate;1,1,1-trifluoropropan-2-one
• SMILES: C=C(C)Nc1nc2cc(Sc3nc(N4CC(N)C4)c4c(Br)c(CC)[nH]c4n3)cnc2s1.CC(=O)C(F)(F)F.CCOC(=O)c1nc2cc(Sc3nc(N4CC(O)C4)c4c(Br)c(CC)[nH]c4n3)cnc2n(C)c1=O.CCOc1nc(Nc2cnc3c(c2)nnn3CC2CC2)nc2[nH]c(CC)c(Br)c12.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(C3CC(CNS(C)(=O)=O)C3)c2c1Br.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC(N)C3)c2c1Br.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC(NS(C)(=O)=O)C3)c2c1Br.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(OC3CNC3)c2c1Br
• InChI: InChI=1S/C22H22BrN7O4S.C21H22BrN7O2S2.C20H21BrN8S2.C19H19BrN8O2S2.C19H21BrN8O.C18H17BrN8S.C18H16BrN7OS.C3H3F3O/c1-4-12-15(23)14-17(26-12)27-22(28-19(14)30-8-10(31)9-30)35-11-6-13-18(24-7-11)29(3)20(32)16(25-13)21(33)34-5-2;1-3-14-17(22)16-18(12-6-11(7-12)9-26-33(2,30)31)28-21(29-20(16)27-14)32-13-8-15-19(25-10-13)24-5-4-23-15;1-4-12-15(21)14-16(25-12)27-20(28-17(14)29-7-10(22)8-29)30-11-5-13-18(23-6-11)31-19(26-13)24-9(2)3;1-3-12-15(20)14-17(24-12)25-19(26-18(14)28-8-10(9-28)27-32(2,29)30)31-11-6-13-16(23-7-11)22-5-4-21-13;1-3-12-15(20)14-16(23-12)24-19(25-18(14)29-4-2)22-11-7-13-17(21-8-11)28(27-26-13)9-10-5-6-10;1-2-11-14(19)13-16(24-11)25-18(26-17(13)27-7-9(20)8-27)28-10-5-12-15(23-6-10)22-4-3-21-12;1-2-11-14(19)13-16(24-11)25-18(26-17(13)27-9-6-20-7-9)28-10-5-12-15(23-8-10)22-4-3-21-12;1-2(7)3(4,5)6/h6-7,10,31H,4-5,8-9H2,1-3H3,(H,26,27,28);4-5,8,10-12,26H,3,6-7,9H2,1-2H3,(H,27,28,29);5-6,10H,2,4,7-8,22H2,1,3H3,(H,24,26)(H,25,27,28);4-7,10,27H,3,8-9H2,1-2H3,(H,24,25,26);7-8,10H,3-6,9H2,1-2H3,(H2,22,23,24,25);3-6,9H,2,7-8,20H2,1H3,(H,24,25,26);3-5,8-9,20H,2,6-7H2,1H3,(H,24,25,26);1H3
• InChIKey: SYCQUDISONLDOQ-UHFFFAOYSA-N
• XLogP: 24.44
• TPSA: 838.32 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 62
• Rotatable Bonds: 41
• Heavy Atoms: 223
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3646.95
LogP ≤ 5	24.44
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	62

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(3-aminoazetidin-1-yl)-5-bromo-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-prop-1-en-2-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;7-[[4-(azetidin-3-yloxy)-5-bromo-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-amine;1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;N-[1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanesulfonamide;N-[[3-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)cyclobutyl]methyl]methanesulfonamide;ethyl 7-[[5-bromo-6-ethyl-4-(3-hydroxyazetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carboxylate;1,1,1-trifluoropropan-2-one?

The IUPAC name of 6-[[4-(3-aminoazetidin-1-yl)-5-bromo-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-prop-1-en-2-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;7-[[4-(azetidin-3-yloxy)-5-bromo-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-amine;1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;N-[1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanesulfonamide;N-[[3-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)cyclobutyl]methyl]methanesulfonamide;ethyl 7-[[5-bromo-6-ethyl-4-(3-hydroxyazetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carboxylate;1,1,1-trifluoropropan-2-one (CID 160969916) is 6-[[4-(3-aminoazetidin-1-yl)-5-bromo-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-prop-1-en-2-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;7-[[4-(azetidin-3-yloxy)-5-bromo-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-amine;1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;N-[1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanesulfonamide;N-[[3-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)cyclobutyl]methyl]methanesulfonamide;ethyl 7-[[5-bromo-6-ethyl-4-(3-hydroxyazetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carboxylate;1,1,1-trifluoropropan-2-one.

What is the SMILES notation for 6-[[4-(3-aminoazetidin-1-yl)-5-bromo-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-prop-1-en-2-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;7-[[4-(azetidin-3-yloxy)-5-bromo-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-amine;1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;N-[1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanesulfonamide;N-[[3-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)cyclobutyl]methyl]methanesulfonamide;ethyl 7-[[5-bromo-6-ethyl-4-(3-hydroxyazetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carboxylate;1,1,1-trifluoropropan-2-one?

The canonical SMILES for 6-[[4-(3-aminoazetidin-1-yl)-5-bromo-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-prop-1-en-2-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;7-[[4-(azetidin-3-yloxy)-5-bromo-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-amine;1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;N-[1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanesulfonamide;N-[[3-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)cyclobutyl]methyl]methanesulfonamide;ethyl 7-[[5-bromo-6-ethyl-4-(3-hydroxyazetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carboxylate;1,1,1-trifluoropropan-2-one is C=C(C)Nc1nc2cc(Sc3nc(N4CC(N)C4)c4c(Br)c(CC)[nH]c4n3)cnc2s1.CC(=O)C(F)(F)F.CCOC(=O)c1nc2cc(Sc3nc(N4CC(O)C4)c4c(Br)c(CC)[nH]c4n3)cnc2n(C)c1=O.CCOc1nc(Nc2cnc3c(c2)nnn3CC2CC2)nc2[nH]c(CC)c(Br)c12.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(C3CC(CNS(C)(=O)=O)C3)c2c1Br.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC(N)C3)c2c1Br.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC(NS(C)(=O)=O)C3)c2c1Br.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(OC3CNC3)c2c1Br.

What is the InChIKey of 6-[[4-(3-aminoazetidin-1-yl)-5-bromo-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-prop-1-en-2-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;7-[[4-(azetidin-3-yloxy)-5-bromo-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-amine;1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;N-[1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanesulfonamide;N-[[3-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)cyclobutyl]methyl]methanesulfonamide;ethyl 7-[[5-bromo-6-ethyl-4-(3-hydroxyazetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carboxylate;1,1,1-trifluoropropan-2-one?

The InChIKey is SYCQUDISONLDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrN7O4S.C21H22BrN7O2S2.C20H21BrN8S2.C19H19BrN8O2S2.C19H21BrN8O.C18H17BrN8S.C18H16BrN7OS.C3H3F3O/c1-4-12-15(23)14-17(26-12)27-22(28-19(14)30-8-10(31)9-30)35-11-6-13-18(24-7-11)29(3)20(32)16(25-13)21(33)34-5-2;1-3-14-17(22)16-18(12-6-11(7-12)9-26-33(2,30)31)28-21(29-20(16)27-14)32-13-8-15-19(25-10-13)24-5-4-23-15;1-4-12-15(21)14-16(25-12)27-20(28-17(14)29-7-10(22)8-29)30-11-5-13-18(23-6-11)31-19(26-13)24-9(2)3;1-3-12-15(20)14-17(24-12)25-19(26-18(14)28-8-10(9-28)27-32(2,29)30)31-11-6-13-16(23-7-11)22-5-4-21-13;1-3-12-15(20)14-16(23-12)24-19(25-18(14)29-4-2)22-11-7-13-17(21-8-11)28(27-26-13)9-10-5-6-10;1-2-11-14(19)13-16(24-11)25-18(26-17(13)27-7-9(20)8-27)28-10-5-12-15(23-6-10)22-4-3-21-12;1-2-11-14(19)13-16(24-11)25-18(26-17(13)27-9-6-20-7-9)28-10-5-12-15(23-8-10)22-4-3-21-12;1-2(7)3(4,5)6/h6-7,10,31H,4-5,8-9H2,1-3H3,(H,26,27,28);4-5,8,10-12,26H,3,6-7,9H2,1-2H3,(H,27,28,29);5-6,10H,2,4,7-8,22H2,1,3H3,(H,24,26)(H,25,27,28);4-7,10,27H,3,8-9H2,1-2H3,(H,24,25,26);7-8,10H,3-6,9H2,1-2H3,(H2,22,23,24,25);3-6,9H,2,7-8,20H2,1H3,(H,24,25,26);3-5,8-9,20H,2,6-7H2,1H3,(H,24,25,26);1H3.

What are the key properties of 6-[[4-(3-aminoazetidin-1-yl)-5-bromo-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-prop-1-en-2-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;7-[[4-(azetidin-3-yloxy)-5-bromo-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-amine;1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;N-[1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanesulfonamide;N-[[3-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)cyclobutyl]methyl]methanesulfonamide;ethyl 7-[[5-bromo-6-ethyl-4-(3-hydroxyazetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carboxylate;1,1,1-trifluoropropan-2-one?

6-[[4-(3-aminoazetidin-1-yl)-5-bromo-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-prop-1-en-2-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;7-[[4-(azetidin-3-yloxy)-5-bromo-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-amine;1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;N-[1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanesulfonamide;N-[[3-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)cyclobutyl]methyl]methanesulfonamide;ethyl 7-[[5-bromo-6-ethyl-4-(3-hydroxyazetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carboxylate;1,1,1-trifluoropropan-2-one has a molecular weight of 3646.95 g/mol, XLogP of 24.44, 41 rotatable bonds, 15 hydrogen bond donors, and 62 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[4-(3-aminoazetidin-1-yl)-5-bromo-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-prop-1-en-2-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;7-[[4-(azetidin-3-yloxy)-5-bromo-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-amine;1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;N-[1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanesulfonamide;N-[[3-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)cyclobutyl]methyl]methanesulfonamide;ethyl 7-[[5-bromo-6-ethyl-4-(3-hydroxyazetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carboxylate;1,1,1-trifluoropropan-2-one is sourced from PubChem (CID 160969916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).