7-[[4-[butyl(methyl)amino]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[3,2-d]pyrimidine-2,4-diamine;1-[5-chloro-2-(2,4-diaminopyrido[3,2-d]pyrimidin-7-yl)sulfanyl-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidine-3-carboxylic acid;5-chloro-6-ethyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine;5-chloro-6-ethyl-2-pyridin-3-yloxy-4-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidine;[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanamine;[(2S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanamine;tetrakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one)

C130H126Cl6F18N48O15S4 — CID 158203250

About 7-[[4-[butyl(methyl)amino]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[3,2-d]pyrimidine-2,4-diamine;1-[5-chloro-2-(2,4-diaminopyrido[3,2-d]pyrimidin-7-yl)sulfanyl-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidine-3-carboxylic acid;5-chloro-6-ethyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine;5-chloro-6-ethyl-2-pyridin-3-yloxy-4-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidine;[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanamine;[(2S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanamine;tetrakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one)

7-[[4-[butyl(methyl)amino]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[3,2-d]pyrimidine-2,4-diamine;1-[5-chloro-2-(2,4-diaminopyrido[3,2-d]pyrimidin-7-yl)sulfanyl-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidine-3-carboxylic acid;5-chloro-6-ethyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine;5-chloro-6-ethyl-2-pyridin-3-yloxy-4-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidine;[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanamine;[(2S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanamine;tetrakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one) (PubChem CID 158203250) has the molecular formula C130H126Cl6F18N48O15S4 and a molecular weight of 3283.71 g/mol. Its IUPAC name is 7-[[4-[butyl(methyl)amino]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[3,2-d]pyrimidine-2,4-diamine;1-[5-chloro-2-(2,4-diaminopyrido[3,2-d]pyrimidin-7-yl)sulfanyl-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidine-3-carboxylic acid;5-chloro-6-ethyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine;5-chloro-6-ethyl-2-pyridin-3-yloxy-4-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidine;[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanamine;[(2S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanamine;tetrakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one).

Molecular Properties

• Compound Name: 7-[[4-[butyl(methyl)amino]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[3,2-d]pyrimidine-2,4-diamine;1-[5-chloro-2-(2,4-diaminopyrido[3,2-d]pyrimidin-7-yl)sulfanyl-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidine-3-carboxylic acid;5-chloro-6-ethyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine;5-chloro-6-ethyl-2-pyridin-3-yloxy-4-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidine;[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanamine;[(2S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanamine;tetrakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one)
• PubChem CID: 158203250
• Molecular Formula: C130H126Cl6F18N48O15S4
• Molecular Weight: 3283.71 g/mol
• Exact Mass: 3278.73
• IUPAC Name: 7-[[4-[butyl(methyl)amino]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[3,2-d]pyrimidine-2,4-diamine;1-[5-chloro-2-(2,4-diaminopyrido[3,2-d]pyrimidin-7-yl)sulfanyl-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidine-3-carboxylic acid;5-chloro-6-ethyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine;5-chloro-6-ethyl-2-pyridin-3-yloxy-4-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidine;[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanamine;[(2S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanamine;tetrakis(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.CCCCN(C)c1nc(Sc2cnc3c(N)nc(N)nc3c2)nc2[nH]c(CC)c(Cl)c12.CCc1[nH]c2nc(Oc3cccnc3)nc(N3CCN(c4cnccn4)CC3)c2c1Cl.CCc1[nH]c2nc(Oc3cccnc3)nc(Oc3cncnc3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4c(N)nc(N)nc4c3)nc(N3CC(C(=O)O)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC(CN)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CCC[C@H]3CN)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
• InChI: InChI=1S/C21H21ClN8O.C20H24ClN9S.C20H21ClN8S.C19H18ClN9O2S.C19H19ClN8S.C17H13ClN6O2.2C3H3F3O.4C2HF3O2/c1-2-15-18(22)17-19(26-15)27-21(31-14-4-3-5-23-12-14)28-20(17)30-10-8-29(9-11-30)16-13-24-6-7-25-16;1-4-6-7-30(3)18-13-14(21)11(5-2)25-17(13)28-20(29-18)31-10-8-12-15(24-9-10)16(22)27-19(23)26-12;1-2-13-16(21)15-18(26-13)27-20(28-19(15)29-7-3-4-11(29)9-22)30-12-8-14-17(25-10-12)24-6-5-23-14;1-2-9-12(20)11-15(24-9)27-19(28-16(11)29-5-7(6-29)17(30)31)32-8-3-10-13(23-4-8)14(21)26-18(22)25-10;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;1-2-12-14(18)13-15(22-12)23-17(26-10-4-3-5-19-6-10)24-16(13)25-11-7-20-9-21-8-11;2*1-2(7)3(4,5)6;4*3-2(4,5)1(6)7/h3-7,12-13H,2,8-11H2,1H3,(H,26,27,28);8-9H,4-7H2,1-3H3,(H,25,28,29)(H4,22,23,26,27);5-6,8,10-11H,2-4,7,9,22H2,1H3,(H,26,27,28);3-4,7H,2,5-6H2,1H3,(H,30,31)(H,24,27,28)(H4,21,22,25,26);3-5,7,10H,2,6,8-9,21H2,1H3,(H,25,26,27);3-9H,2H2,1H3,(H,22,23,24);2*1H3;4*(H,6,7)/t;;11-;;;;;;;;;/m..0........./s1
• InChIKey: WQPAXGNXACTULB-SIHPANQMSA-N
• XLogP: 25.29
• TPSA: 905.33 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 56
• Rotatable Bonds: 32
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3283.71
LogP ≤ 5	25.29
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	56

Frequently Asked Questions

What is the IUPAC name of 7-[[4-[butyl(methyl)amino]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[3,2-d]pyrimidine-2,4-diamine;1-[5-chloro-2-(2,4-diaminopyrido[3,2-d]pyrimidin-7-yl)sulfanyl-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidine-3-carboxylic acid;5-chloro-6-ethyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine;5-chloro-6-ethyl-2-pyridin-3-yloxy-4-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidine;[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanamine;[(2S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanamine;tetrakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one)?

The IUPAC name of 7-[[4-[butyl(methyl)amino]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[3,2-d]pyrimidine-2,4-diamine;1-[5-chloro-2-(2,4-diaminopyrido[3,2-d]pyrimidin-7-yl)sulfanyl-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidine-3-carboxylic acid;5-chloro-6-ethyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine;5-chloro-6-ethyl-2-pyridin-3-yloxy-4-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidine;[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanamine;[(2S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanamine;tetrakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one) (CID 158203250) is 7-[[4-[butyl(methyl)amino]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[3,2-d]pyrimidine-2,4-diamine;1-[5-chloro-2-(2,4-diaminopyrido[3,2-d]pyrimidin-7-yl)sulfanyl-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidine-3-carboxylic acid;5-chloro-6-ethyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine;5-chloro-6-ethyl-2-pyridin-3-yloxy-4-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidine;[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanamine;[(2S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanamine;tetrakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one).

What is the SMILES notation for 7-[[4-[butyl(methyl)amino]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[3,2-d]pyrimidine-2,4-diamine;1-[5-chloro-2-(2,4-diaminopyrido[3,2-d]pyrimidin-7-yl)sulfanyl-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidine-3-carboxylic acid;5-chloro-6-ethyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine;5-chloro-6-ethyl-2-pyridin-3-yloxy-4-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidine;[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanamine;[(2S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanamine;tetrakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one)?

The canonical SMILES for 7-[[4-[butyl(methyl)amino]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[3,2-d]pyrimidine-2,4-diamine;1-[5-chloro-2-(2,4-diaminopyrido[3,2-d]pyrimidin-7-yl)sulfanyl-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidine-3-carboxylic acid;5-chloro-6-ethyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine;5-chloro-6-ethyl-2-pyridin-3-yloxy-4-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidine;[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanamine;[(2S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanamine;tetrakis(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.CCCCN(C)c1nc(Sc2cnc3c(N)nc(N)nc3c2)nc2[nH]c(CC)c(Cl)c12.CCc1[nH]c2nc(Oc3cccnc3)nc(N3CCN(c4cnccn4)CC3)c2c1Cl.CCc1[nH]c2nc(Oc3cccnc3)nc(Oc3cncnc3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4c(N)nc(N)nc4c3)nc(N3CC(C(=O)O)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC(CN)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CCC[C@H]3CN)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.

What is the InChIKey of 7-[[4-[butyl(methyl)amino]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[3,2-d]pyrimidine-2,4-diamine;1-[5-chloro-2-(2,4-diaminopyrido[3,2-d]pyrimidin-7-yl)sulfanyl-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidine-3-carboxylic acid;5-chloro-6-ethyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine;5-chloro-6-ethyl-2-pyridin-3-yloxy-4-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidine;[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanamine;[(2S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanamine;tetrakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one)?

The InChIKey is WQPAXGNXACTULB-SIHPANQMSA-N. The full InChI is InChI=1S/C21H21ClN8O.C20H24ClN9S.C20H21ClN8S.C19H18ClN9O2S.C19H19ClN8S.C17H13ClN6O2.2C3H3F3O.4C2HF3O2/c1-2-15-18(22)17-19(26-15)27-21(31-14-4-3-5-23-12-14)28-20(17)30-10-8-29(9-11-30)16-13-24-6-7-25-16;1-4-6-7-30(3)18-13-14(21)11(5-2)25-17(13)28-20(29-18)31-10-8-12-15(24-9-10)16(22)27-19(23)26-12;1-2-13-16(21)15-18(26-13)27-20(28-19(15)29-7-3-4-11(29)9-22)30-12-8-14-17(25-10-12)24-6-5-23-14;1-2-9-12(20)11-15(24-9)27-19(28-16(11)29-5-7(6-29)17(30)31)32-8-3-10-13(23-4-8)14(21)26-18(22)25-10;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;1-2-12-14(18)13-15(22-12)23-17(26-10-4-3-5-19-6-10)24-16(13)25-11-7-20-9-21-8-11;2*1-2(7)3(4,5)6;4*3-2(4,5)1(6)7/h3-7,12-13H,2,8-11H2,1H3,(H,26,27,28);8-9H,4-7H2,1-3H3,(H,25,28,29)(H4,22,23,26,27);5-6,8,10-11H,2-4,7,9,22H2,1H3,(H,26,27,28);3-4,7H,2,5-6H2,1H3,(H,30,31)(H,24,27,28)(H4,21,22,25,26);3-5,7,10H,2,6,8-9,21H2,1H3,(H,25,26,27);3-9H,2H2,1H3,(H,22,23,24);2*1H3;4*(H,6,7)/t;;11-;;;;;;;;;/m..0........./s1.

What are the key properties of 7-[[4-[butyl(methyl)amino]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[3,2-d]pyrimidine-2,4-diamine;1-[5-chloro-2-(2,4-diaminopyrido[3,2-d]pyrimidin-7-yl)sulfanyl-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidine-3-carboxylic acid;5-chloro-6-ethyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine;5-chloro-6-ethyl-2-pyridin-3-yloxy-4-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidine;[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanamine;[(2S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanamine;tetrakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one)?

7-[[4-[butyl(methyl)amino]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[3,2-d]pyrimidine-2,4-diamine;1-[5-chloro-2-(2,4-diaminopyrido[3,2-d]pyrimidin-7-yl)sulfanyl-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidine-3-carboxylic acid;5-chloro-6-ethyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine;5-chloro-6-ethyl-2-pyridin-3-yloxy-4-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidine;[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanamine;[(2S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanamine;tetrakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one) has a molecular weight of 3283.71 g/mol, XLogP of 25.29, 32 rotatable bonds, 17 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[4-[butyl(methyl)amino]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[3,2-d]pyrimidine-2,4-diamine;1-[5-chloro-2-(2,4-diaminopyrido[3,2-d]pyrimidin-7-yl)sulfanyl-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidine-3-carboxylic acid;5-chloro-6-ethyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine;5-chloro-6-ethyl-2-pyridin-3-yloxy-4-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidine;[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanamine;[(2S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanamine;tetrakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one) is sourced from PubChem (CID 158203250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).