N-[4-(3-aminoazetidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;7-[[4-(3-aminoazetidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-methylpyrido[3,2-d]pyrimidin-4-amine;tert-butyl [1-[5-chloro-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] carbonate;N-[5-chloro-4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;1-[5-chloro-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;2-[[5-chloro-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-methylamino]ethanol;1-[4-(5-chloro-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;1-[4-(5,6-dichloro-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;hexakis(2,2,2-trifluoroacetic acid);pentakis(1,1,1-trifluoropropan-2-one)

C181H200Cl9F33N70O26S — CID 159782494

About N-[4-(3-aminoazetidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;7-[[4-(3-aminoazetidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-methylpyrido[3,2-d]pyrimidin-4-amine;tert-butyl [1-[5-chloro-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] carbonate;N-[5-chloro-4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;1-[5-chloro-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;2-[[5-chloro-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-methylamino]ethanol;1-[4-(5-chloro-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;1-[4-(5,6-dichloro-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;hexakis(2,2,2-trifluoroacetic acid);pentakis(1,1,1-trifluoropropan-2-one)

N-[4-(3-aminoazetidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;7-[[4-(3-aminoazetidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-methylpyrido[3,2-d]pyrimidin-4-amine;tert-butyl [1-[5-chloro-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] carbonate;N-[5-chloro-4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;1-[5-chloro-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;2-[[5-chloro-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-methylamino]ethanol;1-[4-(5-chloro-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;1-[4-(5,6-dichloro-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;hexakis(2,2,2-trifluoroacetic acid);pentakis(1,1,1-trifluoropropan-2-one) (PubChem CID 159782494) has the molecular formula C181H200Cl9F33N70O26S and a molecular weight of 4750.13 g/mol. Its IUPAC name is N-[4-(3-aminoazetidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;7-[[4-(3-aminoazetidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-methylpyrido[3,2-d]pyrimidin-4-amine;tert-butyl [1-[5-chloro-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] carbonate;N-[5-chloro-4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;1-[5-chloro-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;2-[[5-chloro-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-methylamino]ethanol;1-[4-(5-chloro-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;1-[4-(5,6-dichloro-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;hexakis(2,2,2-trifluoroacetic acid);pentakis(1,1,1-trifluoropropan-2-one).

Molecular Properties

• Compound Name: N-[4-(3-aminoazetidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;7-[[4-(3-aminoazetidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-methylpyrido[3,2-d]pyrimidin-4-amine;tert-butyl [1-[5-chloro-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] carbonate;N-[5-chloro-4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;1-[5-chloro-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;2-[[5-chloro-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-methylamino]ethanol;1-[4-(5-chloro-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;1-[4-(5,6-dichloro-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;hexakis(2,2,2-trifluoroacetic acid);pentakis(1,1,1-trifluoropropan-2-one)
• PubChem CID: 159782494
• Molecular Formula: C181H200Cl9F33N70O26S
• Molecular Weight: 4750.13 g/mol
• Exact Mass: 4743.29
• IUPAC Name: N-[4-(3-aminoazetidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;7-[[4-(3-aminoazetidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-methylpyrido[3,2-d]pyrimidin-4-amine;tert-butyl [1-[5-chloro-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] carbonate;N-[5-chloro-4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;1-[5-chloro-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;2-[[5-chloro-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-methylamino]ethanol;1-[4-(5-chloro-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;1-[4-(5,6-dichloro-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;hexakis(2,2,2-trifluoroacetic acid);pentakis(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.CC(=O)C(F)(F)F.CC(=O)C(F)(F)F.CC(=O)N1CCN(c2nc(Oc3cncnc3)nc3[nH]c(Cl)c(Cl)c23)CC1.CC(=O)N1CCN(c2nc(Oc3cncnc3)nc3[nH]cc(Cl)c23)CC1.CCc1[nH]c2nc(Nc3cnc4c(c3)nnn4C(C)C)nc(N(C)CCO)c2c1Cl.CCc1[nH]c2nc(Nc3cnc4c(c3)nnn4C(C)C)nc(N3CC(N)C3)c2c1Cl.CCc1[nH]c2nc(Nc3cnc4c(c3)nnn4C(C)C)nc(N3CC(O)C3)c2c1Cl.CCc1[nH]c2nc(Nc3cnc4c(c3)nnn4C(C)C)nc(N3CC(OC(=O)OC(C)(C)C)C3)c2c1Cl.CCc1[nH]c2nc(Nc3cnc4c(c3)nnn4C(C)C)nc(N3CC[C@H](N(C)C)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4c(N)nc(C)nc4c3)nc(N3CC(N)C3)c2c1Cl.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/C24H30ClN9O3.C22H29ClN10.C19H23ClN10.C19H22ClN9O.C19H24ClN9O.C19H20ClN9S.C16H15Cl2N7O2.C16H16ClN7O2.5C3H3F3O.6C2HF3O2/c1-7-15-18(25)17-19(28-15)29-22(27-13-8-16-20(26-9-13)34(12(2)3)32-31-16)30-21(17)33-10-14(11-33)36-23(35)37-24(4,5)6;1-6-15-18(23)17-19(26-15)27-22(28-21(17)32-8-7-14(11-32)31(4)5)25-13-9-16-20(24-10-13)33(12(2)3)30-29-16;1-4-12-15(20)14-16(24-12)25-19(26-18(14)29-7-10(21)8-29)23-11-5-13-17(22-6-11)30(9(2)3)28-27-13;1-4-12-15(20)14-16(23-12)24-19(25-18(14)28-7-11(30)8-28)22-10-5-13-17(21-6-10)29(9(2)3)27-26-13;1-5-12-15(20)14-16(23-12)24-19(25-18(14)28(4)6-7-30)22-11-8-13-17(21-9-11)29(10(2)3)27-26-13;1-3-11-14(20)13-17(26-11)27-19(28-18(13)29-6-9(21)7-29)30-10-4-12-15(23-5-10)16(22)25-8(2)24-12;1-9(26)24-2-4-25(5-3-24)15-11-12(17)13(18)21-14(11)22-16(23-15)27-10-6-19-8-20-7-10;1-10(25)23-2-4-24(5-3-23)15-13-12(17)8-20-14(13)21-16(22-15)26-11-6-18-9-19-7-11;5*1-2(7)3(4,5)6;6*3-2(4,5)1(6)7/h8-9,12,14H,7,10-11H2,1-6H3,(H2,27,28,29,30);9-10,12,14H,6-8,11H2,1-5H3,(H2,25,26,27,28);5-6,9-10H,4,7-8,21H2,1-3H3,(H2,23,24,25,26);5-6,9,11,30H,4,7-8H2,1-3H3,(H2,22,23,24,25);8-10,30H,5-7H2,1-4H3,(H2,22,23,24,25);4-5,9H,3,6-7,21H2,1-2H3,(H2,22,24,25)(H,26,27,28);6-8H,2-5H2,1H3,(H,21,22,23);6-9H,2-5H2,1H3,(H,20,21,22);5*1H3;6*(H,6,7)/t;14-;;;;;;;;;;;;;;;;;/m.0................./s1
• InChIKey: IVQTWKHRVSQVHF-HCSSANQQSA-N
• XLogP: 33.79
• TPSA: 1252.38 Ų
• H-Bond Donors: 24
• H-Bond Acceptors: 81
• Rotatable Bonds: 39
• Heavy Atoms: 320
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4750.13
LogP ≤ 5	33.79
H-Bond Donors ≤ 5	24
H-Bond Acceptors ≤ 10	81

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminoazetidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;7-[[4-(3-aminoazetidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-methylpyrido[3,2-d]pyrimidin-4-amine;tert-butyl [1-[5-chloro-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] carbonate;N-[5-chloro-4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;1-[5-chloro-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;2-[[5-chloro-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-methylamino]ethanol;1-[4-(5-chloro-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;1-[4-(5,6-dichloro-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;hexakis(2,2,2-trifluoroacetic acid);pentakis(1,1,1-trifluoropropan-2-one)?

The IUPAC name of N-[4-(3-aminoazetidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;7-[[4-(3-aminoazetidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-methylpyrido[3,2-d]pyrimidin-4-amine;tert-butyl [1-[5-chloro-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] carbonate;N-[5-chloro-4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;1-[5-chloro-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;2-[[5-chloro-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-methylamino]ethanol;1-[4-(5-chloro-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;1-[4-(5,6-dichloro-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;hexakis(2,2,2-trifluoroacetic acid);pentakis(1,1,1-trifluoropropan-2-one) (CID 159782494) is N-[4-(3-aminoazetidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;7-[[4-(3-aminoazetidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-methylpyrido[3,2-d]pyrimidin-4-amine;tert-butyl [1-[5-chloro-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] carbonate;N-[5-chloro-4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;1-[5-chloro-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;2-[[5-chloro-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-methylamino]ethanol;1-[4-(5-chloro-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;1-[4-(5,6-dichloro-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;hexakis(2,2,2-trifluoroacetic acid);pentakis(1,1,1-trifluoropropan-2-one).

What is the SMILES notation for N-[4-(3-aminoazetidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;7-[[4-(3-aminoazetidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-methylpyrido[3,2-d]pyrimidin-4-amine;tert-butyl [1-[5-chloro-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] carbonate;N-[5-chloro-4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;1-[5-chloro-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;2-[[5-chloro-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-methylamino]ethanol;1-[4-(5-chloro-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;1-[4-(5,6-dichloro-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;hexakis(2,2,2-trifluoroacetic acid);pentakis(1,1,1-trifluoropropan-2-one)?

The canonical SMILES for N-[4-(3-aminoazetidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;7-[[4-(3-aminoazetidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-methylpyrido[3,2-d]pyrimidin-4-amine;tert-butyl [1-[5-chloro-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] carbonate;N-[5-chloro-4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;1-[5-chloro-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;2-[[5-chloro-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-methylamino]ethanol;1-[4-(5-chloro-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;1-[4-(5,6-dichloro-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;hexakis(2,2,2-trifluoroacetic acid);pentakis(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.CC(=O)C(F)(F)F.CC(=O)C(F)(F)F.CC(=O)N1CCN(c2nc(Oc3cncnc3)nc3[nH]c(Cl)c(Cl)c23)CC1.CC(=O)N1CCN(c2nc(Oc3cncnc3)nc3[nH]cc(Cl)c23)CC1.CCc1[nH]c2nc(Nc3cnc4c(c3)nnn4C(C)C)nc(N(C)CCO)c2c1Cl.CCc1[nH]c2nc(Nc3cnc4c(c3)nnn4C(C)C)nc(N3CC(N)C3)c2c1Cl.CCc1[nH]c2nc(Nc3cnc4c(c3)nnn4C(C)C)nc(N3CC(O)C3)c2c1Cl.CCc1[nH]c2nc(Nc3cnc4c(c3)nnn4C(C)C)nc(N3CC(OC(=O)OC(C)(C)C)C3)c2c1Cl.CCc1[nH]c2nc(Nc3cnc4c(c3)nnn4C(C)C)nc(N3CC[C@H](N(C)C)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4c(N)nc(C)nc4c3)nc(N3CC(N)C3)c2c1Cl.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-[4-(3-aminoazetidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;7-[[4-(3-aminoazetidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-methylpyrido[3,2-d]pyrimidin-4-amine;tert-butyl [1-[5-chloro-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] carbonate;N-[5-chloro-4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;1-[5-chloro-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;2-[[5-chloro-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-methylamino]ethanol;1-[4-(5-chloro-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;1-[4-(5,6-dichloro-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;hexakis(2,2,2-trifluoroacetic acid);pentakis(1,1,1-trifluoropropan-2-one)?

The InChIKey is IVQTWKHRVSQVHF-HCSSANQQSA-N. The full InChI is InChI=1S/C24H30ClN9O3.C22H29ClN10.C19H23ClN10.C19H22ClN9O.C19H24ClN9O.C19H20ClN9S.C16H15Cl2N7O2.C16H16ClN7O2.5C3H3F3O.6C2HF3O2/c1-7-15-18(25)17-19(28-15)29-22(27-13-8-16-20(26-9-13)34(12(2)3)32-31-16)30-21(17)33-10-14(11-33)36-23(35)37-24(4,5)6;1-6-15-18(23)17-19(26-15)27-22(28-21(17)32-8-7-14(11-32)31(4)5)25-13-9-16-20(24-10-13)33(12(2)3)30-29-16;1-4-12-15(20)14-16(24-12)25-19(26-18(14)29-7-10(21)8-29)23-11-5-13-17(22-6-11)30(9(2)3)28-27-13;1-4-12-15(20)14-16(23-12)24-19(25-18(14)28-7-11(30)8-28)22-10-5-13-17(21-6-10)29(9(2)3)27-26-13;1-5-12-15(20)14-16(23-12)24-19(25-18(14)28(4)6-7-30)22-11-8-13-17(21-9-11)29(10(2)3)27-26-13;1-3-11-14(20)13-17(26-11)27-19(28-18(13)29-6-9(21)7-29)30-10-4-12-15(23-5-10)16(22)25-8(2)24-12;1-9(26)24-2-4-25(5-3-24)15-11-12(17)13(18)21-14(11)22-16(23-15)27-10-6-19-8-20-7-10;1-10(25)23-2-4-24(5-3-23)15-13-12(17)8-20-14(13)21-16(22-15)26-11-6-18-9-19-7-11;5*1-2(7)3(4,5)6;6*3-2(4,5)1(6)7/h8-9,12,14H,7,10-11H2,1-6H3,(H2,27,28,29,30);9-10,12,14H,6-8,11H2,1-5H3,(H2,25,26,27,28);5-6,9-10H,4,7-8,21H2,1-3H3,(H2,23,24,25,26);5-6,9,11,30H,4,7-8H2,1-3H3,(H2,22,23,24,25);8-10,30H,5-7H2,1-4H3,(H2,22,23,24,25);4-5,9H,3,6-7,21H2,1-2H3,(H2,22,24,25)(H,26,27,28);6-8H,2-5H2,1H3,(H,21,22,23);6-9H,2-5H2,1H3,(H,20,21,22);5*1H3;6*(H,6,7)/t;14-;;;;;;;;;;;;;;;;;/m.0................./s1.

What are the key properties of N-[4-(3-aminoazetidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;7-[[4-(3-aminoazetidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-methylpyrido[3,2-d]pyrimidin-4-amine;tert-butyl [1-[5-chloro-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] carbonate;N-[5-chloro-4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;1-[5-chloro-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;2-[[5-chloro-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-methylamino]ethanol;1-[4-(5-chloro-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;1-[4-(5,6-dichloro-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;hexakis(2,2,2-trifluoroacetic acid);pentakis(1,1,1-trifluoropropan-2-one)?

N-[4-(3-aminoazetidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;7-[[4-(3-aminoazetidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-methylpyrido[3,2-d]pyrimidin-4-amine;tert-butyl [1-[5-chloro-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] carbonate;N-[5-chloro-4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;1-[5-chloro-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;2-[[5-chloro-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-methylamino]ethanol;1-[4-(5-chloro-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;1-[4-(5,6-dichloro-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;hexakis(2,2,2-trifluoroacetic acid);pentakis(1,1,1-trifluoropropan-2-one) has a molecular weight of 4750.13 g/mol, XLogP of 33.79, 39 rotatable bonds, 24 hydrogen bond donors, and 81 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-aminoazetidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;7-[[4-(3-aminoazetidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-methylpyrido[3,2-d]pyrimidin-4-amine;tert-butyl [1-[5-chloro-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] carbonate;N-[5-chloro-4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-3-propan-2-yltriazolo[4,5-b]pyridin-6-amine;1-[5-chloro-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;2-[[5-chloro-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-methylamino]ethanol;1-[4-(5-chloro-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;1-[4-(5,6-dichloro-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;hexakis(2,2,2-trifluoroacetic acid);pentakis(1,1,1-trifluoropropan-2-one) is sourced from PubChem (CID 159782494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).