benzyl N-[3-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)cyclobutyl]carbamate;5-bromo-4-ethoxy-N-(6-ethoxy-3-pyridinyl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;6-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;1-[5-bromo-6-ethyl-2-(3-ethylimidazo[4,5-b]pyridin-5-yl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;[1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanamine;4-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine;tris(1,1,1-trifluoropropan-2-one)

C147H151Br7F9N49O13S4 — CID 158796048

About benzyl N-[3-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)cyclobutyl]carbamate;5-bromo-4-ethoxy-N-(6-ethoxy-3-pyridinyl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;6-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;1-[5-bromo-6-ethyl-2-(3-ethylimidazo[4,5-b]pyridin-5-yl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;[1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanamine;4-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine;tris(1,1,1-trifluoropropan-2-one)

benzyl N-[3-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)cyclobutyl]carbamate;5-bromo-4-ethoxy-N-(6-ethoxy-3-pyridinyl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;6-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;1-[5-bromo-6-ethyl-2-(3-ethylimidazo[4,5-b]pyridin-5-yl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;[1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanamine;4-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine;tris(1,1,1-trifluoropropan-2-one) (PubChem CID 158796048) has the molecular formula C147H151Br7F9N49O13S4 and a molecular weight of 3670.73 g/mol. Its IUPAC name is benzyl N-[3-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)cyclobutyl]carbamate;5-bromo-4-ethoxy-N-(6-ethoxy-3-pyridinyl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;6-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;1-[5-bromo-6-ethyl-2-(3-ethylimidazo[4,5-b]pyridin-5-yl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;[1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanamine;4-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine;tris(1,1,1-trifluoropropan-2-one).

Molecular Properties

• Compound Name: benzyl N-[3-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)cyclobutyl]carbamate;5-bromo-4-ethoxy-N-(6-ethoxy-3-pyridinyl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;6-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;1-[5-bromo-6-ethyl-2-(3-ethylimidazo[4,5-b]pyridin-5-yl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;[1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanamine;4-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine;tris(1,1,1-trifluoropropan-2-one)
• PubChem CID: 158796048
• Molecular Formula: C147H151Br7F9N49O13S4
• Molecular Weight: 3670.73 g/mol
• Exact Mass: 3661.57
• IUPAC Name: benzyl N-[3-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)cyclobutyl]carbamate;5-bromo-4-ethoxy-N-(6-ethoxy-3-pyridinyl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;6-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;1-[5-bromo-6-ethyl-2-(3-ethylimidazo[4,5-b]pyridin-5-yl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;[1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanamine;4-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine;tris(1,1,1-trifluoropropan-2-one)
• SMILES: CC(=O)C(F)(F)F.CC(=O)C(F)(F)F.CC(=O)C(F)(F)F.CCOc1ccc(Nc2nc(OCC)c3c(Br)c(CC)[nH]c3n2)cn1.CCOc1nc(Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)nc2[nH]c(CC)c(Br)c12.CCOc1nc(Nc2cnc3c(c2)nnn3C(C)C)nc2[nH]c(CC)c(Br)c12.CCc1[nH]c2nc(Sc3ccc4ncn(CC)c4n3)nc(N3CC(O)C3)c2c1Br.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(C3CC(NC(=O)OCc4ccccc4)C3)c2c1Br.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC(CN)C3)c2c1Br.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CCOCC3)c2c1Br
• InChI: InChI=1S/C27H24BrN7O2S.C19H19BrN8S.C19H20BrN7O3.C19H20BrN7OS.C19H18BrN7OS.C18H21BrN8O.C17H20BrN5O2.3C3H3F3O/c1-2-19-22(28)21-23(16-10-17(11-16)32-27(36)37-14-15-6-4-3-5-7-15)34-26(35-25(21)33-19)38-18-12-20-24(31-13-18)30-9-8-29-20;1-2-12-15(20)14-17(25-12)26-19(27-18(14)28-8-10(6-21)9-28)29-11-5-13-16(24-7-11)23-4-3-22-13;1-5-11-13(20)12-14(23-11)24-18(25-16(12)30-6-2)22-9-7-10-15(21-8-9)26(3)19(29)27(4)17(10)28;1-3-11-15(20)14-16(22-11)24-19(25-18(14)27-7-10(28)8-27)29-13-6-5-12-17(23-13)26(4-2)9-21-12;1-2-12-15(20)14-17(24-12)25-19(26-18(14)27-5-7-28-8-6-27)29-11-9-13-16(23-10-11)22-4-3-21-13;1-5-11-14(19)13-15(22-11)23-18(24-17(13)28-6-2)21-10-7-12-16(20-8-10)27(9(3)4)26-25-12;1-4-11-14(18)13-15(21-11)22-17(23-16(13)25-6-3)20-10-7-8-12(19-9-10)24-5-2;3*1-2(7)3(4,5)6/h3-9,12-13,16-17H,2,10-11,14H2,1H3,(H,32,36)(H,33,34,35);3-5,7,10H,2,6,8-9,21H2,1H3,(H,25,26,27);7-8H,5-6H2,1-4H3,(H2,22,23,24,25);5-6,9-10,28H,3-4,7-8H2,1-2H3,(H,22,24,25);3-4,9-10H,2,5-8H2,1H3,(H,24,25,26);7-9H,5-6H2,1-4H3,(H2,21,22,23,24);7-9H,4-6H2,1-3H3,(H2,20,21,22,23);3*1H3
• InChIKey: ISWKHTKLPIWISI-UHFFFAOYSA-N
• XLogP: 30.25
• TPSA: 778.84 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 58
• Rotatable Bonds: 39
• Heavy Atoms: 229
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3670.73
LogP ≤ 5	30.25
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	58

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)cyclobutyl]carbamate;5-bromo-4-ethoxy-N-(6-ethoxy-3-pyridinyl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;6-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;1-[5-bromo-6-ethyl-2-(3-ethylimidazo[4,5-b]pyridin-5-yl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;[1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanamine;4-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine;tris(1,1,1-trifluoropropan-2-one)?

The IUPAC name of benzyl N-[3-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)cyclobutyl]carbamate;5-bromo-4-ethoxy-N-(6-ethoxy-3-pyridinyl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;6-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;1-[5-bromo-6-ethyl-2-(3-ethylimidazo[4,5-b]pyridin-5-yl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;[1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanamine;4-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine;tris(1,1,1-trifluoropropan-2-one) (CID 158796048) is benzyl N-[3-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)cyclobutyl]carbamate;5-bromo-4-ethoxy-N-(6-ethoxy-3-pyridinyl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;6-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;1-[5-bromo-6-ethyl-2-(3-ethylimidazo[4,5-b]pyridin-5-yl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;[1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanamine;4-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine;tris(1,1,1-trifluoropropan-2-one).

What is the SMILES notation for benzyl N-[3-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)cyclobutyl]carbamate;5-bromo-4-ethoxy-N-(6-ethoxy-3-pyridinyl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;6-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;1-[5-bromo-6-ethyl-2-(3-ethylimidazo[4,5-b]pyridin-5-yl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;[1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanamine;4-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine;tris(1,1,1-trifluoropropan-2-one)?

The canonical SMILES for benzyl N-[3-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)cyclobutyl]carbamate;5-bromo-4-ethoxy-N-(6-ethoxy-3-pyridinyl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;6-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;1-[5-bromo-6-ethyl-2-(3-ethylimidazo[4,5-b]pyridin-5-yl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;[1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanamine;4-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine;tris(1,1,1-trifluoropropan-2-one) is CC(=O)C(F)(F)F.CC(=O)C(F)(F)F.CC(=O)C(F)(F)F.CCOc1ccc(Nc2nc(OCC)c3c(Br)c(CC)[nH]c3n2)cn1.CCOc1nc(Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)nc2[nH]c(CC)c(Br)c12.CCOc1nc(Nc2cnc3c(c2)nnn3C(C)C)nc2[nH]c(CC)c(Br)c12.CCc1[nH]c2nc(Sc3ccc4ncn(CC)c4n3)nc(N3CC(O)C3)c2c1Br.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(C3CC(NC(=O)OCc4ccccc4)C3)c2c1Br.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC(CN)C3)c2c1Br.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CCOCC3)c2c1Br.

What is the InChIKey of benzyl N-[3-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)cyclobutyl]carbamate;5-bromo-4-ethoxy-N-(6-ethoxy-3-pyridinyl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;6-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;1-[5-bromo-6-ethyl-2-(3-ethylimidazo[4,5-b]pyridin-5-yl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;[1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanamine;4-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine;tris(1,1,1-trifluoropropan-2-one)?

The InChIKey is ISWKHTKLPIWISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24BrN7O2S.C19H19BrN8S.C19H20BrN7O3.C19H20BrN7OS.C19H18BrN7OS.C18H21BrN8O.C17H20BrN5O2.3C3H3F3O/c1-2-19-22(28)21-23(16-10-17(11-16)32-27(36)37-14-15-6-4-3-5-7-15)34-26(35-25(21)33-19)38-18-12-20-24(31-13-18)30-9-8-29-20;1-2-12-15(20)14-17(25-12)26-19(27-18(14)28-8-10(6-21)9-28)29-11-5-13-16(24-7-11)23-4-3-22-13;1-5-11-13(20)12-14(23-11)24-18(25-16(12)30-6-2)22-9-7-10-15(21-8-9)26(3)19(29)27(4)17(10)28;1-3-11-15(20)14-16(22-11)24-19(25-18(14)27-7-10(28)8-27)29-13-6-5-12-17(23-13)26(4-2)9-21-12;1-2-12-15(20)14-17(24-12)25-19(26-18(14)27-5-7-28-8-6-27)29-11-9-13-16(23-10-11)22-4-3-21-13;1-5-11-14(19)13-15(22-11)23-18(24-17(13)28-6-2)21-10-7-12-16(20-8-10)27(9(3)4)26-25-12;1-4-11-14(18)13-15(21-11)22-17(23-16(13)25-6-3)20-10-7-8-12(19-9-10)24-5-2;3*1-2(7)3(4,5)6/h3-9,12-13,16-17H,2,10-11,14H2,1H3,(H,32,36)(H,33,34,35);3-5,7,10H,2,6,8-9,21H2,1H3,(H,25,26,27);7-8H,5-6H2,1-4H3,(H2,22,23,24,25);5-6,9-10,28H,3-4,7-8H2,1-2H3,(H,22,24,25);3-4,9-10H,2,5-8H2,1H3,(H,24,25,26);7-9H,5-6H2,1-4H3,(H2,21,22,23,24);7-9H,4-6H2,1-3H3,(H2,20,21,22,23);3*1H3.

What are the key properties of benzyl N-[3-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)cyclobutyl]carbamate;5-bromo-4-ethoxy-N-(6-ethoxy-3-pyridinyl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;6-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;1-[5-bromo-6-ethyl-2-(3-ethylimidazo[4,5-b]pyridin-5-yl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;[1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanamine;4-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine;tris(1,1,1-trifluoropropan-2-one)?

benzyl N-[3-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)cyclobutyl]carbamate;5-bromo-4-ethoxy-N-(6-ethoxy-3-pyridinyl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;6-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;1-[5-bromo-6-ethyl-2-(3-ethylimidazo[4,5-b]pyridin-5-yl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;[1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanamine;4-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine;tris(1,1,1-trifluoropropan-2-one) has a molecular weight of 3670.73 g/mol, XLogP of 30.25, 39 rotatable bonds, 13 hydrogen bond donors, and 58 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[3-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)cyclobutyl]carbamate;5-bromo-4-ethoxy-N-(6-ethoxy-3-pyridinyl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;6-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;1-[5-bromo-6-ethyl-2-(3-ethylimidazo[4,5-b]pyridin-5-yl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;[1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanamine;4-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine;tris(1,1,1-trifluoropropan-2-one) is sourced from PubChem (CID 158796048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).