1-[7-[[4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-4-(3-aminoazetidin-1-yl)quinolin-2-yl]ethanone;3-[[5-chloro-4-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-1,5-naphthyridine;5-chloro-4-ethoxy-6-ethyl-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine;7-[(5-chloro-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)oxy]-2-methylquinazolin-4-amine;(3S)-1-[5-chloro-6-ethyl-2-(4-ethynyl-3-fluorophenyl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine;(2R,3S)-1-[5-chloro-6-ethyl-2-(1,5-naphthyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-(hydroxymethyl)pyrrolidin-3-ol;2,2,2-trifluoroacetic acid;bis(1,1,1-trifluoropropan-2-one)

C131H130Cl6F10N36O11S4 — CID 158838569

About 1-[7-[[4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-4-(3-aminoazetidin-1-yl)quinolin-2-yl]ethanone;3-[[5-chloro-4-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-1,5-naphthyridine;5-chloro-4-ethoxy-6-ethyl-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine;7-[(5-chloro-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)oxy]-2-methylquinazolin-4-amine;(3S)-1-[5-chloro-6-ethyl-2-(4-ethynyl-3-fluorophenyl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine;(2R,3S)-1-[5-chloro-6-ethyl-2-(1,5-naphthyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-(hydroxymethyl)pyrrolidin-3-ol;2,2,2-trifluoroacetic acid;bis(1,1,1-trifluoropropan-2-one)

1-[7-[[4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-4-(3-aminoazetidin-1-yl)quinolin-2-yl]ethanone;3-[[5-chloro-4-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-1,5-naphthyridine;5-chloro-4-ethoxy-6-ethyl-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine;7-[(5-chloro-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)oxy]-2-methylquinazolin-4-amine;(3S)-1-[5-chloro-6-ethyl-2-(4-ethynyl-3-fluorophenyl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine;(2R,3S)-1-[5-chloro-6-ethyl-2-(1,5-naphthyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-(hydroxymethyl)pyrrolidin-3-ol;2,2,2-trifluoroacetic acid;bis(1,1,1-trifluoropropan-2-one) (PubChem CID 158838569) has the molecular formula C131H130Cl6F10N36O11S4 and a molecular weight of 2915.69 g/mol. Its IUPAC name is 1-[7-[[4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-4-(3-aminoazetidin-1-yl)quinolin-2-yl]ethanone;3-[[5-chloro-4-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-1,5-naphthyridine;5-chloro-4-ethoxy-6-ethyl-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine;7-[(5-chloro-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)oxy]-2-methylquinazolin-4-amine;(3S)-1-[5-chloro-6-ethyl-2-(4-ethynyl-3-fluorophenyl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine;(2R,3S)-1-[5-chloro-6-ethyl-2-(1,5-naphthyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-(hydroxymethyl)pyrrolidin-3-ol;2,2,2-trifluoroacetic acid;bis(1,1,1-trifluoropropan-2-one).

Molecular Properties

• Compound Name: 1-[7-[[4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-4-(3-aminoazetidin-1-yl)quinolin-2-yl]ethanone;3-[[5-chloro-4-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-1,5-naphthyridine;5-chloro-4-ethoxy-6-ethyl-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine;7-[(5-chloro-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)oxy]-2-methylquinazolin-4-amine;(3S)-1-[5-chloro-6-ethyl-2-(4-ethynyl-3-fluorophenyl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine;(2R,3S)-1-[5-chloro-6-ethyl-2-(1,5-naphthyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-(hydroxymethyl)pyrrolidin-3-ol;2,2,2-trifluoroacetic acid;bis(1,1,1-trifluoropropan-2-one)
• PubChem CID: 158838569
• Molecular Formula: C131H130Cl6F10N36O11S4
• Molecular Weight: 2915.69 g/mol
• Exact Mass: 2910.76
• IUPAC Name: 1-[7-[[4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-4-(3-aminoazetidin-1-yl)quinolin-2-yl]ethanone;3-[[5-chloro-4-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-1,5-naphthyridine;5-chloro-4-ethoxy-6-ethyl-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine;7-[(5-chloro-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)oxy]-2-methylquinazolin-4-amine;(3S)-1-[5-chloro-6-ethyl-2-(4-ethynyl-3-fluorophenyl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine;(2R,3S)-1-[5-chloro-6-ethyl-2-(1,5-naphthyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-(hydroxymethyl)pyrrolidin-3-ol;2,2,2-trifluoroacetic acid;bis(1,1,1-trifluoropropan-2-one)
• SMILES: C#Cc1ccc(Sc2nc(N3CC[C@H](N)C3)c3c(Cl)c(CC)[nH]c3n2)cc1F.CC(=O)C(F)(F)F.CC(=O)C(F)(F)F.CCOc1nc(Oc2ccc3c(N)nc(C)nc3c2)nc2[nH]c(CC)c(Cl)c12.CCOc1nc(Oc2cccnc2)nc2[nH]c(CC)c(Cl)c12.CCc1[nH]c2nc(Sc3ccc4c(N5CC(N)C5)cc(C(C)=O)nc4c3)nc(N3CC4C(N)C4C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4cccnc4c3)nc(N3CC4CNC4C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4cccnc4c3)nc(N3CC[C@H](O)[C@H]3CO)c2c1Cl.O=C(O)C(F)(F)F
• InChI: InChI=1S/C27H29ClN8OS.C21H20ClN7S.C21H21ClN6O2S.C20H19ClFN5S.C19H19ClN6O2.C15H15ClN4O2.2C3H3F3O.C2HF3O2/c1-3-18-23(28)22-25(32-18)33-27(34-26(22)36-10-16-17(11-36)24(16)30)38-14-4-5-15-20(6-14)31-19(12(2)37)7-21(15)35-8-13(29)9-35;1-2-13-18(22)17-19(26-13)27-21(28-20(17)29-9-11-7-24-16(11)10-29)30-12-6-15-14(25-8-12)4-3-5-23-15;1-2-12-18(22)17-19(25-12)26-21(27-20(17)28-7-5-16(30)15(28)10-29)31-11-8-14-13(24-9-11)4-3-6-23-14;1-3-11-5-6-13(9-14(11)22)28-20-25-18-16(17(21)15(4-2)24-18)19(26-20)27-8-7-12(23)10-27;1-4-12-15(20)14-17(24-12)25-19(26-18(14)27-5-2)28-10-6-7-11-13(8-10)22-9(3)23-16(11)21;1-3-10-12(16)11-13(18-10)19-15(20-14(11)21-4-2)22-9-6-5-7-17-8-9;2*1-2(7)3(4,5)6;3-2(4,5)1(6)7/h4-7,13,16-17,24H,3,8-11,29-30H2,1-2H3,(H,32,33,34);3-6,8,11,16,24H,2,7,9-10H2,1H3,(H,26,27,28);3-4,6,8-9,15-16,29-30H,2,5,7,10H2,1H3,(H,25,26,27);1,5-6,9,12H,4,7-8,10,23H2,2H3,(H,24,25,26);6-8H,4-5H2,1-3H3,(H2,21,22,23)(H,24,25,26);5-8H,3-4H2,1-2H3,(H,18,19,20);2*1H3;(H,6,7)/t;;15-,16+;12-;;;;;/m..10...../s1
• InChIKey: BSFWACLPOFDGQV-CJCPQOSTSA-N
• XLogP: 25.34
• TPSA: 650.74 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 44
• Rotatable Bonds: 29
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2915.69
LogP ≤ 5	25.34
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[7-[[4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-4-(3-aminoazetidin-1-yl)quinolin-2-yl]ethanone;3-[[5-chloro-4-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-1,5-naphthyridine;5-chloro-4-ethoxy-6-ethyl-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine;7-[(5-chloro-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)oxy]-2-methylquinazolin-4-amine;(3S)-1-[5-chloro-6-ethyl-2-(4-ethynyl-3-fluorophenyl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine;(2R,3S)-1-[5-chloro-6-ethyl-2-(1,5-naphthyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-(hydroxymethyl)pyrrolidin-3-ol;2,2,2-trifluoroacetic acid;bis(1,1,1-trifluoropropan-2-one)?

The IUPAC name of 1-[7-[[4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-4-(3-aminoazetidin-1-yl)quinolin-2-yl]ethanone;3-[[5-chloro-4-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-1,5-naphthyridine;5-chloro-4-ethoxy-6-ethyl-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine;7-[(5-chloro-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)oxy]-2-methylquinazolin-4-amine;(3S)-1-[5-chloro-6-ethyl-2-(4-ethynyl-3-fluorophenyl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine;(2R,3S)-1-[5-chloro-6-ethyl-2-(1,5-naphthyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-(hydroxymethyl)pyrrolidin-3-ol;2,2,2-trifluoroacetic acid;bis(1,1,1-trifluoropropan-2-one) (CID 158838569) is 1-[7-[[4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-4-(3-aminoazetidin-1-yl)quinolin-2-yl]ethanone;3-[[5-chloro-4-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-1,5-naphthyridine;5-chloro-4-ethoxy-6-ethyl-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine;7-[(5-chloro-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)oxy]-2-methylquinazolin-4-amine;(3S)-1-[5-chloro-6-ethyl-2-(4-ethynyl-3-fluorophenyl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine;(2R,3S)-1-[5-chloro-6-ethyl-2-(1,5-naphthyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-(hydroxymethyl)pyrrolidin-3-ol;2,2,2-trifluoroacetic acid;bis(1,1,1-trifluoropropan-2-one).

What is the SMILES notation for 1-[7-[[4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-4-(3-aminoazetidin-1-yl)quinolin-2-yl]ethanone;3-[[5-chloro-4-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-1,5-naphthyridine;5-chloro-4-ethoxy-6-ethyl-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine;7-[(5-chloro-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)oxy]-2-methylquinazolin-4-amine;(3S)-1-[5-chloro-6-ethyl-2-(4-ethynyl-3-fluorophenyl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine;(2R,3S)-1-[5-chloro-6-ethyl-2-(1,5-naphthyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-(hydroxymethyl)pyrrolidin-3-ol;2,2,2-trifluoroacetic acid;bis(1,1,1-trifluoropropan-2-one)?

The canonical SMILES for 1-[7-[[4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-4-(3-aminoazetidin-1-yl)quinolin-2-yl]ethanone;3-[[5-chloro-4-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-1,5-naphthyridine;5-chloro-4-ethoxy-6-ethyl-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine;7-[(5-chloro-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)oxy]-2-methylquinazolin-4-amine;(3S)-1-[5-chloro-6-ethyl-2-(4-ethynyl-3-fluorophenyl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine;(2R,3S)-1-[5-chloro-6-ethyl-2-(1,5-naphthyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-(hydroxymethyl)pyrrolidin-3-ol;2,2,2-trifluoroacetic acid;bis(1,1,1-trifluoropropan-2-one) is C#Cc1ccc(Sc2nc(N3CC[C@H](N)C3)c3c(Cl)c(CC)[nH]c3n2)cc1F.CC(=O)C(F)(F)F.CC(=O)C(F)(F)F.CCOc1nc(Oc2ccc3c(N)nc(C)nc3c2)nc2[nH]c(CC)c(Cl)c12.CCOc1nc(Oc2cccnc2)nc2[nH]c(CC)c(Cl)c12.CCc1[nH]c2nc(Sc3ccc4c(N5CC(N)C5)cc(C(C)=O)nc4c3)nc(N3CC4C(N)C4C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4cccnc4c3)nc(N3CC4CNC4C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4cccnc4c3)nc(N3CC[C@H](O)[C@H]3CO)c2c1Cl.O=C(O)C(F)(F)F.

What is the InChIKey of 1-[7-[[4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-4-(3-aminoazetidin-1-yl)quinolin-2-yl]ethanone;3-[[5-chloro-4-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-1,5-naphthyridine;5-chloro-4-ethoxy-6-ethyl-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine;7-[(5-chloro-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)oxy]-2-methylquinazolin-4-amine;(3S)-1-[5-chloro-6-ethyl-2-(4-ethynyl-3-fluorophenyl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine;(2R,3S)-1-[5-chloro-6-ethyl-2-(1,5-naphthyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-(hydroxymethyl)pyrrolidin-3-ol;2,2,2-trifluoroacetic acid;bis(1,1,1-trifluoropropan-2-one)?

The InChIKey is BSFWACLPOFDGQV-CJCPQOSTSA-N. The full InChI is InChI=1S/C27H29ClN8OS.C21H20ClN7S.C21H21ClN6O2S.C20H19ClFN5S.C19H19ClN6O2.C15H15ClN4O2.2C3H3F3O.C2HF3O2/c1-3-18-23(28)22-25(32-18)33-27(34-26(22)36-10-16-17(11-36)24(16)30)38-14-4-5-15-20(6-14)31-19(12(2)37)7-21(15)35-8-13(29)9-35;1-2-13-18(22)17-19(26-13)27-21(28-20(17)29-9-11-7-24-16(11)10-29)30-12-6-15-14(25-8-12)4-3-5-23-15;1-2-12-18(22)17-19(25-12)26-21(27-20(17)28-7-5-16(30)15(28)10-29)31-11-8-14-13(24-9-11)4-3-6-23-14;1-3-11-5-6-13(9-14(11)22)28-20-25-18-16(17(21)15(4-2)24-18)19(26-20)27-8-7-12(23)10-27;1-4-12-15(20)14-17(24-12)25-19(26-18(14)27-5-2)28-10-6-7-11-13(8-10)22-9(3)23-16(11)21;1-3-10-12(16)11-13(18-10)19-15(20-14(11)21-4-2)22-9-6-5-7-17-8-9;2*1-2(7)3(4,5)6;3-2(4,5)1(6)7/h4-7,13,16-17,24H,3,8-11,29-30H2,1-2H3,(H,32,33,34);3-6,8,11,16,24H,2,7,9-10H2,1H3,(H,26,27,28);3-4,6,8-9,15-16,29-30H,2,5,7,10H2,1H3,(H,25,26,27);1,5-6,9,12H,4,7-8,10,23H2,2H3,(H,24,25,26);6-8H,4-5H2,1-3H3,(H2,21,22,23)(H,24,25,26);5-8H,3-4H2,1-2H3,(H,18,19,20);2*1H3;(H,6,7)/t;;15-,16+;12-;;;;;/m..10...../s1.

What are the key properties of 1-[7-[[4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-4-(3-aminoazetidin-1-yl)quinolin-2-yl]ethanone;3-[[5-chloro-4-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-1,5-naphthyridine;5-chloro-4-ethoxy-6-ethyl-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine;7-[(5-chloro-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)oxy]-2-methylquinazolin-4-amine;(3S)-1-[5-chloro-6-ethyl-2-(4-ethynyl-3-fluorophenyl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine;(2R,3S)-1-[5-chloro-6-ethyl-2-(1,5-naphthyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-(hydroxymethyl)pyrrolidin-3-ol;2,2,2-trifluoroacetic acid;bis(1,1,1-trifluoropropan-2-one)?

1-[7-[[4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-4-(3-aminoazetidin-1-yl)quinolin-2-yl]ethanone;3-[[5-chloro-4-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-1,5-naphthyridine;5-chloro-4-ethoxy-6-ethyl-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine;7-[(5-chloro-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)oxy]-2-methylquinazolin-4-amine;(3S)-1-[5-chloro-6-ethyl-2-(4-ethynyl-3-fluorophenyl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine;(2R,3S)-1-[5-chloro-6-ethyl-2-(1,5-naphthyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-(hydroxymethyl)pyrrolidin-3-ol;2,2,2-trifluoroacetic acid;bis(1,1,1-trifluoropropan-2-one) has a molecular weight of 2915.69 g/mol, XLogP of 25.34, 29 rotatable bonds, 14 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[7-[[4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-4-(3-aminoazetidin-1-yl)quinolin-2-yl]ethanone;3-[[5-chloro-4-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-1,5-naphthyridine;5-chloro-4-ethoxy-6-ethyl-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine;7-[(5-chloro-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)oxy]-2-methylquinazolin-4-amine;(3S)-1-[5-chloro-6-ethyl-2-(4-ethynyl-3-fluorophenyl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine;(2R,3S)-1-[5-chloro-6-ethyl-2-(1,5-naphthyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-(hydroxymethyl)pyrrolidin-3-ol;2,2,2-trifluoroacetic acid;bis(1,1,1-trifluoropropan-2-one) is sourced from PubChem (CID 158838569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).