N-[5-bromo-4-[3-(cyclopropylmethylsulfonyl)azetidin-1-yl]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-amine;1-[5-bromo-2-[[3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-yl]amino]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)pyrido[2,3-b]pyrazin-7-amine;5-bromo-6-ethyl-2,4-bis[(6-methoxy-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-6-ethyl-2,4-dipyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-6-ethyl-2,4-di(pyrimidin-5-yloxy)-7H-pyrrolo[2,3-d]pyrimidine;N-(5-bromo-6-ethyl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;tert-butyl N-[1-[5-bromo-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-yl]carbamate;hexakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one)

C174H172Br8F24N60O29S — CID 161468046

About N-[5-bromo-4-[3-(cyclopropylmethylsulfonyl)azetidin-1-yl]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-amine;1-[5-bromo-2-[[3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-yl]amino]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)pyrido[2,3-b]pyrazin-7-amine;5-bromo-6-ethyl-2,4-bis[(6-methoxy-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-6-ethyl-2,4-dipyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-6-ethyl-2,4-di(pyrimidin-5-yloxy)-7H-pyrrolo[2,3-d]pyrimidine;N-(5-bromo-6-ethyl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;tert-butyl N-[1-[5-bromo-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-yl]carbamate;hexakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one)

N-[5-bromo-4-[3-(cyclopropylmethylsulfonyl)azetidin-1-yl]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-amine;1-[5-bromo-2-[[3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-yl]amino]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)pyrido[2,3-b]pyrazin-7-amine;5-bromo-6-ethyl-2,4-bis[(6-methoxy-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-6-ethyl-2,4-dipyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-6-ethyl-2,4-di(pyrimidin-5-yloxy)-7H-pyrrolo[2,3-d]pyrimidine;N-(5-bromo-6-ethyl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;tert-butyl N-[1-[5-bromo-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-yl]carbamate;hexakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one) (PubChem CID 161468046) has the molecular formula C174H172Br8F24N60O29S and a molecular weight of 4694.93 g/mol. Its IUPAC name is N-[5-bromo-4-[3-(cyclopropylmethylsulfonyl)azetidin-1-yl]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-amine;1-[5-bromo-2-[[3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-yl]amino]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)pyrido[2,3-b]pyrazin-7-amine;5-bromo-6-ethyl-2,4-bis[(6-methoxy-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-6-ethyl-2,4-dipyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-6-ethyl-2,4-di(pyrimidin-5-yloxy)-7H-pyrrolo[2,3-d]pyrimidine;N-(5-bromo-6-ethyl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;tert-butyl N-[1-[5-bromo-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-yl]carbamate;hexakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one).

Molecular Properties

• Compound Name: N-[5-bromo-4-[3-(cyclopropylmethylsulfonyl)azetidin-1-yl]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-amine;1-[5-bromo-2-[[3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-yl]amino]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)pyrido[2,3-b]pyrazin-7-amine;5-bromo-6-ethyl-2,4-bis[(6-methoxy-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-6-ethyl-2,4-dipyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-6-ethyl-2,4-di(pyrimidin-5-yloxy)-7H-pyrrolo[2,3-d]pyrimidine;N-(5-bromo-6-ethyl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;tert-butyl N-[1-[5-bromo-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-yl]carbamate;hexakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one)
• PubChem CID: 161468046
• Molecular Formula: C174H172Br8F24N60O29S
• Molecular Weight: 4694.93 g/mol
• Exact Mass: 4684.66
• IUPAC Name: N-[5-bromo-4-[3-(cyclopropylmethylsulfonyl)azetidin-1-yl]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-amine;1-[5-bromo-2-[[3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-yl]amino]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)pyrido[2,3-b]pyrazin-7-amine;5-bromo-6-ethyl-2,4-bis[(6-methoxy-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-6-ethyl-2,4-dipyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-6-ethyl-2,4-di(pyrimidin-5-yloxy)-7H-pyrrolo[2,3-d]pyrimidine;N-(5-bromo-6-ethyl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;tert-butyl N-[1-[5-bromo-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-yl]carbamate;hexakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one)
• SMILES: CC(=O)C(F)(F)F.CC(=O)C(F)(F)F.CCOc1nc(Nc2cnc3nccnc3c2)nc2[nH]c(CC)c(Br)c12.CCc1[nH]c2nc(Nc3cnc4c(c3)nnn4C(C)C)nc(N3CC(NC(=O)OC(C)(C)C)C3)c2c1Br.CCc1[nH]c2nc(Nc3cnc4c(c3)nnn4C(C)C)nc(OC)c2c1Br.CCc1[nH]c2nc(Nc3cnc4c(c3)nnn4CC3CC3)nc(N3CC(O)C3)c2c1Br.CCc1[nH]c2nc(Nc3cnc4c(c3)nnn4CC3CC3)nc(N3CC(S(=O)(=O)CC4CC4)C3)c2c1Br.CCc1[nH]c2nc(Oc3ccc(OC)nc3)nc(Oc3ccc(OC)nc3)c2c1Br.CCc1[nH]c2nc(Oc3cccnc3)nc(Oc3cccnc3)c2c1Br.CCc1[nH]c2nc(Oc3cncnc3)nc(Oc3cncnc3)c2c1Br.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C24H31BrN10O2.C24H28BrN9O2S.C20H22BrN9O.C20H18BrN5O4.C18H14BrN5O2.C17H19BrN8O.C17H16BrN7O.C16H12BrN7O2.2C3H3F3O.6C2HF3O2/c1-7-15-18(25)17-19(29-15)30-22(27-13-8-16-20(26-9-13)35(12(2)3)33-32-16)31-21(17)34-10-14(11-34)28-23(36)37-24(4,5)6;1-2-17-20(25)19-21(28-17)29-24(30-23(19)33-10-16(11-33)37(35,36)12-14-5-6-14)27-15-7-18-22(26-8-15)34(32-31-18)9-13-3-4-13;1-2-13-16(21)15-17(24-13)25-20(26-19(15)29-8-12(31)9-29)23-11-5-14-18(22-6-11)30(28-27-14)7-10-3-4-10;1-4-13-17(21)16-18(24-13)25-20(30-12-6-8-15(28-3)23-10-12)26-19(16)29-11-5-7-14(27-2)22-9-11;1-2-13-15(19)14-16(22-13)23-18(26-12-6-4-8-21-10-12)24-17(14)25-11-5-3-7-20-9-11;1-5-10-13(18)12-14(21-10)22-17(23-16(12)27-4)20-9-6-11-15(19-7-9)26(8(2)3)25-24-11;1-3-10-13(18)12-15(23-10)24-17(25-16(12)26-4-2)22-9-7-11-14(21-8-9)20-6-5-19-11;1-2-11-13(17)12-14(22-11)23-16(26-10-5-20-8-21-6-10)24-15(12)25-9-3-18-7-19-4-9;2*1-2(7)3(4,5)6;6*3-2(4,5)1(6)7/h8-9,12,14H,7,10-11H2,1-6H3,(H,28,36)(H2,27,29,30,31);7-8,13-14,16H,2-6,9-12H2,1H3,(H2,27,28,29,30);5-6,10,12,31H,2-4,7-9H2,1H3,(H2,23,24,25,26);5-10H,4H2,1-3H3,(H,24,25,26);3-10H,2H2,1H3,(H,22,23,24);6-8H,5H2,1-4H3,(H2,20,21,22,23);5-8H,3-4H2,1-2H3,(H2,22,23,24,25);3-8H,2H2,1H3,(H,22,23,24);2*1H3;6*(H,6,7)
• InChIKey: FBQROTBUUBYMTP-UHFFFAOYSA-N
• XLogP: 37.18
• TPSA: 1161.56 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 74
• Rotatable Bonds: 48
• Heavy Atoms: 296
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4694.93
LogP ≤ 5	37.18
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	74

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-4-[3-(cyclopropylmethylsulfonyl)azetidin-1-yl]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-amine;1-[5-bromo-2-[[3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-yl]amino]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)pyrido[2,3-b]pyrazin-7-amine;5-bromo-6-ethyl-2,4-bis[(6-methoxy-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-6-ethyl-2,4-dipyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-6-ethyl-2,4-di(pyrimidin-5-yloxy)-7H-pyrrolo[2,3-d]pyrimidine;N-(5-bromo-6-ethyl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;tert-butyl N-[1-[5-bromo-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-yl]carbamate;hexakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one)?

The IUPAC name of N-[5-bromo-4-[3-(cyclopropylmethylsulfonyl)azetidin-1-yl]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-amine;1-[5-bromo-2-[[3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-yl]amino]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)pyrido[2,3-b]pyrazin-7-amine;5-bromo-6-ethyl-2,4-bis[(6-methoxy-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-6-ethyl-2,4-dipyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-6-ethyl-2,4-di(pyrimidin-5-yloxy)-7H-pyrrolo[2,3-d]pyrimidine;N-(5-bromo-6-ethyl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;tert-butyl N-[1-[5-bromo-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-yl]carbamate;hexakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one) (CID 161468046) is N-[5-bromo-4-[3-(cyclopropylmethylsulfonyl)azetidin-1-yl]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-amine;1-[5-bromo-2-[[3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-yl]amino]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)pyrido[2,3-b]pyrazin-7-amine;5-bromo-6-ethyl-2,4-bis[(6-methoxy-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-6-ethyl-2,4-dipyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-6-ethyl-2,4-di(pyrimidin-5-yloxy)-7H-pyrrolo[2,3-d]pyrimidine;N-(5-bromo-6-ethyl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;tert-butyl N-[1-[5-bromo-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-yl]carbamate;hexakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one).

What is the SMILES notation for N-[5-bromo-4-[3-(cyclopropylmethylsulfonyl)azetidin-1-yl]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-amine;1-[5-bromo-2-[[3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-yl]amino]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)pyrido[2,3-b]pyrazin-7-amine;5-bromo-6-ethyl-2,4-bis[(6-methoxy-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-6-ethyl-2,4-dipyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-6-ethyl-2,4-di(pyrimidin-5-yloxy)-7H-pyrrolo[2,3-d]pyrimidine;N-(5-bromo-6-ethyl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;tert-butyl N-[1-[5-bromo-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-yl]carbamate;hexakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one)?

The canonical SMILES for N-[5-bromo-4-[3-(cyclopropylmethylsulfonyl)azetidin-1-yl]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-amine;1-[5-bromo-2-[[3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-yl]amino]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)pyrido[2,3-b]pyrazin-7-amine;5-bromo-6-ethyl-2,4-bis[(6-methoxy-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-6-ethyl-2,4-dipyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-6-ethyl-2,4-di(pyrimidin-5-yloxy)-7H-pyrrolo[2,3-d]pyrimidine;N-(5-bromo-6-ethyl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;tert-butyl N-[1-[5-bromo-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-yl]carbamate;hexakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one) is CC(=O)C(F)(F)F.CC(=O)C(F)(F)F.CCOc1nc(Nc2cnc3nccnc3c2)nc2[nH]c(CC)c(Br)c12.CCc1[nH]c2nc(Nc3cnc4c(c3)nnn4C(C)C)nc(N3CC(NC(=O)OC(C)(C)C)C3)c2c1Br.CCc1[nH]c2nc(Nc3cnc4c(c3)nnn4C(C)C)nc(OC)c2c1Br.CCc1[nH]c2nc(Nc3cnc4c(c3)nnn4CC3CC3)nc(N3CC(O)C3)c2c1Br.CCc1[nH]c2nc(Nc3cnc4c(c3)nnn4CC3CC3)nc(N3CC(S(=O)(=O)CC4CC4)C3)c2c1Br.CCc1[nH]c2nc(Oc3ccc(OC)nc3)nc(Oc3ccc(OC)nc3)c2c1Br.CCc1[nH]c2nc(Oc3cccnc3)nc(Oc3cccnc3)c2c1Br.CCc1[nH]c2nc(Oc3cncnc3)nc(Oc3cncnc3)c2c1Br.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of N-[5-bromo-4-[3-(cyclopropylmethylsulfonyl)azetidin-1-yl]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-amine;1-[5-bromo-2-[[3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-yl]amino]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)pyrido[2,3-b]pyrazin-7-amine;5-bromo-6-ethyl-2,4-bis[(6-methoxy-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-6-ethyl-2,4-dipyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-6-ethyl-2,4-di(pyrimidin-5-yloxy)-7H-pyrrolo[2,3-d]pyrimidine;N-(5-bromo-6-ethyl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;tert-butyl N-[1-[5-bromo-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-yl]carbamate;hexakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one)?

The InChIKey is FBQROTBUUBYMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31BrN10O2.C24H28BrN9O2S.C20H22BrN9O.C20H18BrN5O4.C18H14BrN5O2.C17H19BrN8O.C17H16BrN7O.C16H12BrN7O2.2C3H3F3O.6C2HF3O2/c1-7-15-18(25)17-19(29-15)30-22(27-13-8-16-20(26-9-13)35(12(2)3)33-32-16)31-21(17)34-10-14(11-34)28-23(36)37-24(4,5)6;1-2-17-20(25)19-21(28-17)29-24(30-23(19)33-10-16(11-33)37(35,36)12-14-5-6-14)27-15-7-18-22(26-8-15)34(32-31-18)9-13-3-4-13;1-2-13-16(21)15-17(24-13)25-20(26-19(15)29-8-12(31)9-29)23-11-5-14-18(22-6-11)30(28-27-14)7-10-3-4-10;1-4-13-17(21)16-18(24-13)25-20(30-12-6-8-15(28-3)23-10-12)26-19(16)29-11-5-7-14(27-2)22-9-11;1-2-13-15(19)14-16(22-13)23-18(26-12-6-4-8-21-10-12)24-17(14)25-11-5-3-7-20-9-11;1-5-10-13(18)12-14(21-10)22-17(23-16(12)27-4)20-9-6-11-15(19-7-9)26(8(2)3)25-24-11;1-3-10-13(18)12-15(23-10)24-17(25-16(12)26-4-2)22-9-7-11-14(21-8-9)20-6-5-19-11;1-2-11-13(17)12-14(22-11)23-16(26-10-5-20-8-21-6-10)24-15(12)25-9-3-18-7-19-4-9;2*1-2(7)3(4,5)6;6*3-2(4,5)1(6)7/h8-9,12,14H,7,10-11H2,1-6H3,(H,28,36)(H2,27,29,30,31);7-8,13-14,16H,2-6,9-12H2,1H3,(H2,27,28,29,30);5-6,10,12,31H,2-4,7-9H2,1H3,(H2,23,24,25,26);5-10H,4H2,1-3H3,(H,24,25,26);3-10H,2H2,1H3,(H,22,23,24);6-8H,5H2,1-4H3,(H2,20,21,22,23);5-8H,3-4H2,1-2H3,(H2,22,23,24,25);3-8H,2H2,1H3,(H,22,23,24);2*1H3;6*(H,6,7).

What are the key properties of N-[5-bromo-4-[3-(cyclopropylmethylsulfonyl)azetidin-1-yl]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-amine;1-[5-bromo-2-[[3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-yl]amino]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)pyrido[2,3-b]pyrazin-7-amine;5-bromo-6-ethyl-2,4-bis[(6-methoxy-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-6-ethyl-2,4-dipyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-6-ethyl-2,4-di(pyrimidin-5-yloxy)-7H-pyrrolo[2,3-d]pyrimidine;N-(5-bromo-6-ethyl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;tert-butyl N-[1-[5-bromo-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-yl]carbamate;hexakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one)?

N-[5-bromo-4-[3-(cyclopropylmethylsulfonyl)azetidin-1-yl]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-amine;1-[5-bromo-2-[[3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-yl]amino]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)pyrido[2,3-b]pyrazin-7-amine;5-bromo-6-ethyl-2,4-bis[(6-methoxy-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-6-ethyl-2,4-dipyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-6-ethyl-2,4-di(pyrimidin-5-yloxy)-7H-pyrrolo[2,3-d]pyrimidine;N-(5-bromo-6-ethyl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;tert-butyl N-[1-[5-bromo-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-yl]carbamate;hexakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one) has a molecular weight of 4694.93 g/mol, XLogP of 37.18, 48 rotatable bonds, 21 hydrogen bond donors, and 74 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-bromo-4-[3-(cyclopropylmethylsulfonyl)azetidin-1-yl]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-amine;1-[5-bromo-2-[[3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-yl]amino]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)pyrido[2,3-b]pyrazin-7-amine;5-bromo-6-ethyl-2,4-bis[(6-methoxy-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-6-ethyl-2,4-dipyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine;5-bromo-6-ethyl-2,4-di(pyrimidin-5-yloxy)-7H-pyrrolo[2,3-d]pyrimidine;N-(5-bromo-6-ethyl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;tert-butyl N-[1-[5-bromo-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-yl]carbamate;hexakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one) is sourced from PubChem (CID 161468046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).