1-[4-(3-aminoazetidin-1-yl)-7-[[4-[(3S)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]quinolin-2-yl]ethanone;1-[7-[[4-[(3S)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-e][1,2,4]triazin-3-yl]-5-(4-methylpiperazin-1-yl)pentan-1-one;tert-butyl N-[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-methylazetidin-3-yl]carbamate;5-chloro-6-ethyl-4-[(5-methoxy-3-pyridinyl)oxy]-2-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)-3-methylazetidin-3-amine;(3S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine;tris(2,2,2-trifluoroacetic acid);1,1,1-trifluoropropan-2-one

C143H151Cl6F12N49O14S5 — CID 159239934

About 1-[4-(3-aminoazetidin-1-yl)-7-[[4-[(3S)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]quinolin-2-yl]ethanone;1-[7-[[4-[(3S)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-e][1,2,4]triazin-3-yl]-5-(4-methylpiperazin-1-yl)pentan-1-one;tert-butyl N-[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-methylazetidin-3-yl]carbamate;5-chloro-6-ethyl-4-[(5-methoxy-3-pyridinyl)oxy]-2-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)-3-methylazetidin-3-amine;(3S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine;tris(2,2,2-trifluoroacetic acid);1,1,1-trifluoropropan-2-one

1-[4-(3-aminoazetidin-1-yl)-7-[[4-[(3S)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]quinolin-2-yl]ethanone;1-[7-[[4-[(3S)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-e][1,2,4]triazin-3-yl]-5-(4-methylpiperazin-1-yl)pentan-1-one;tert-butyl N-[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-methylazetidin-3-yl]carbamate;5-chloro-6-ethyl-4-[(5-methoxy-3-pyridinyl)oxy]-2-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)-3-methylazetidin-3-amine;(3S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine;tris(2,2,2-trifluoroacetic acid);1,1,1-trifluoropropan-2-one (PubChem CID 159239934) has the molecular formula C143H151Cl6F12N49O14S5 and a molecular weight of 3381.14 g/mol. Its IUPAC name is 1-[4-(3-aminoazetidin-1-yl)-7-[[4-[(3S)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]quinolin-2-yl]ethanone;1-[7-[[4-[(3S)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-e][1,2,4]triazin-3-yl]-5-(4-methylpiperazin-1-yl)pentan-1-one;tert-butyl N-[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-methylazetidin-3-yl]carbamate;5-chloro-6-ethyl-4-[(5-methoxy-3-pyridinyl)oxy]-2-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)-3-methylazetidin-3-amine;(3S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine;tris(2,2,2-trifluoroacetic acid);1,1,1-trifluoropropan-2-one.

Molecular Properties

• Compound Name: 1-[4-(3-aminoazetidin-1-yl)-7-[[4-[(3S)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]quinolin-2-yl]ethanone;1-[7-[[4-[(3S)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-e][1,2,4]triazin-3-yl]-5-(4-methylpiperazin-1-yl)pentan-1-one;tert-butyl N-[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-methylazetidin-3-yl]carbamate;5-chloro-6-ethyl-4-[(5-methoxy-3-pyridinyl)oxy]-2-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)-3-methylazetidin-3-amine;(3S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine;tris(2,2,2-trifluoroacetic acid);1,1,1-trifluoropropan-2-one
• PubChem CID: 159239934
• Molecular Formula: C143H151Cl6F12N49O14S5
• Molecular Weight: 3381.14 g/mol
• Exact Mass: 3375.92
• IUPAC Name: 1-[4-(3-aminoazetidin-1-yl)-7-[[4-[(3S)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]quinolin-2-yl]ethanone;1-[7-[[4-[(3S)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-e][1,2,4]triazin-3-yl]-5-(4-methylpiperazin-1-yl)pentan-1-one;tert-butyl N-[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-methylazetidin-3-yl]carbamate;5-chloro-6-ethyl-4-[(5-methoxy-3-pyridinyl)oxy]-2-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)-3-methylazetidin-3-amine;(3S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine;tris(2,2,2-trifluoroacetic acid);1,1,1-trifluoropropan-2-one
• SMILES: CC(=O)C(F)(F)F.CCc1[nH]c2nc(Oc3cncnc3)nc(Oc3cncc(OC)c3)c2c1Cl.CCc1[nH]c2nc(Sc3ccc4c(N5CC(N)C5)cc(C(C)=O)nc4c3)nc(N3CC[C@H](N)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nc(C(=O)CCCCN5CCN(C)CC5)nnc4c3)nc(N3CC[C@H](N)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC(C)(N)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC(C)(NC(=O)OC(C)(C)C)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC[C@H](N)C3)c2c1Cl.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C28H36ClN11OS.C26H29ClN8OS.C24H27ClN8O2S.2C19H19ClN8S.C18H15ClN6O3.C3H3F3O.3C2HF3O2/c1-3-19-23(29)22-26(32-19)34-28(35-27(22)40-9-7-17(30)16-40)42-18-14-20-24(31-15-18)33-25(37-36-20)21(41)6-4-5-8-39-12-10-38(2)11-13-39;1-3-18-23(27)22-24(31-18)32-26(33-25(22)34-7-6-14(28)10-34)37-16-4-5-17-20(8-16)30-19(13(2)36)9-21(17)35-11-15(29)12-35;1-6-14-17(25)16-19(29-14)30-21(36-13-9-15-18(28-10-13)27-8-7-26-15)31-20(16)33-11-24(5,12-33)32-22(34)35-23(2,3)4;1-3-11-14(20)13-16(25-11)26-18(27-17(13)28-8-19(2,21)9-28)29-10-6-12-15(24-7-10)23-5-4-22-12;1-2-12-15(20)14-17(25-12)26-19(27-18(14)28-6-3-10(21)9-28)29-11-7-13-16(24-8-11)23-5-4-22-13;1-3-13-15(19)14-16(23-13)24-18(28-12-7-21-9-22-8-12)25-17(14)27-11-4-10(26-2)5-20-6-11;1-2(7)3(4,5)6;3*3-2(4,5)1(6)7/h14-15,17H,3-13,16,30H2,1-2H3,(H,32,34,35);4-5,8-9,14-15H,3,6-7,10-12,28-29H2,1-2H3,(H,31,32,33);7-10H,6,11-12H2,1-5H3,(H,32,34)(H,29,30,31);4-7H,3,8-9,21H2,1-2H3,(H,25,26,27);4-5,7-8,10H,2-3,6,9,21H2,1H3,(H,25,26,27);4-9H,3H2,1-2H3,(H,23,24,25);1H3;3*(H,6,7)/t17-;14-;;;10-;;;;;/m00..0...../s1
• InChIKey: YFZONNKETJKMIN-KMVZNUFNSA-N
• XLogP: 25.11
• TPSA: 853.70 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 58
• Rotatable Bonds: 35
• Heavy Atoms: 229
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3381.14
LogP ≤ 5	25.11
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	58

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-aminoazetidin-1-yl)-7-[[4-[(3S)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]quinolin-2-yl]ethanone;1-[7-[[4-[(3S)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-e][1,2,4]triazin-3-yl]-5-(4-methylpiperazin-1-yl)pentan-1-one;tert-butyl N-[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-methylazetidin-3-yl]carbamate;5-chloro-6-ethyl-4-[(5-methoxy-3-pyridinyl)oxy]-2-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)-3-methylazetidin-3-amine;(3S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine;tris(2,2,2-trifluoroacetic acid);1,1,1-trifluoropropan-2-one?

The IUPAC name of 1-[4-(3-aminoazetidin-1-yl)-7-[[4-[(3S)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]quinolin-2-yl]ethanone;1-[7-[[4-[(3S)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-e][1,2,4]triazin-3-yl]-5-(4-methylpiperazin-1-yl)pentan-1-one;tert-butyl N-[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-methylazetidin-3-yl]carbamate;5-chloro-6-ethyl-4-[(5-methoxy-3-pyridinyl)oxy]-2-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)-3-methylazetidin-3-amine;(3S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine;tris(2,2,2-trifluoroacetic acid);1,1,1-trifluoropropan-2-one (CID 159239934) is 1-[4-(3-aminoazetidin-1-yl)-7-[[4-[(3S)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]quinolin-2-yl]ethanone;1-[7-[[4-[(3S)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-e][1,2,4]triazin-3-yl]-5-(4-methylpiperazin-1-yl)pentan-1-one;tert-butyl N-[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-methylazetidin-3-yl]carbamate;5-chloro-6-ethyl-4-[(5-methoxy-3-pyridinyl)oxy]-2-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)-3-methylazetidin-3-amine;(3S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine;tris(2,2,2-trifluoroacetic acid);1,1,1-trifluoropropan-2-one.

What is the SMILES notation for 1-[4-(3-aminoazetidin-1-yl)-7-[[4-[(3S)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]quinolin-2-yl]ethanone;1-[7-[[4-[(3S)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-e][1,2,4]triazin-3-yl]-5-(4-methylpiperazin-1-yl)pentan-1-one;tert-butyl N-[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-methylazetidin-3-yl]carbamate;5-chloro-6-ethyl-4-[(5-methoxy-3-pyridinyl)oxy]-2-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)-3-methylazetidin-3-amine;(3S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine;tris(2,2,2-trifluoroacetic acid);1,1,1-trifluoropropan-2-one?

The canonical SMILES for 1-[4-(3-aminoazetidin-1-yl)-7-[[4-[(3S)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]quinolin-2-yl]ethanone;1-[7-[[4-[(3S)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-e][1,2,4]triazin-3-yl]-5-(4-methylpiperazin-1-yl)pentan-1-one;tert-butyl N-[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-methylazetidin-3-yl]carbamate;5-chloro-6-ethyl-4-[(5-methoxy-3-pyridinyl)oxy]-2-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)-3-methylazetidin-3-amine;(3S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine;tris(2,2,2-trifluoroacetic acid);1,1,1-trifluoropropan-2-one is CC(=O)C(F)(F)F.CCc1[nH]c2nc(Oc3cncnc3)nc(Oc3cncc(OC)c3)c2c1Cl.CCc1[nH]c2nc(Sc3ccc4c(N5CC(N)C5)cc(C(C)=O)nc4c3)nc(N3CC[C@H](N)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nc(C(=O)CCCCN5CCN(C)CC5)nnc4c3)nc(N3CC[C@H](N)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC(C)(N)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC(C)(NC(=O)OC(C)(C)C)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC[C@H](N)C3)c2c1Cl.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 1-[4-(3-aminoazetidin-1-yl)-7-[[4-[(3S)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]quinolin-2-yl]ethanone;1-[7-[[4-[(3S)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-e][1,2,4]triazin-3-yl]-5-(4-methylpiperazin-1-yl)pentan-1-one;tert-butyl N-[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-methylazetidin-3-yl]carbamate;5-chloro-6-ethyl-4-[(5-methoxy-3-pyridinyl)oxy]-2-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)-3-methylazetidin-3-amine;(3S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine;tris(2,2,2-trifluoroacetic acid);1,1,1-trifluoropropan-2-one?

The InChIKey is YFZONNKETJKMIN-KMVZNUFNSA-N. The full InChI is InChI=1S/C28H36ClN11OS.C26H29ClN8OS.C24H27ClN8O2S.2C19H19ClN8S.C18H15ClN6O3.C3H3F3O.3C2HF3O2/c1-3-19-23(29)22-26(32-19)34-28(35-27(22)40-9-7-17(30)16-40)42-18-14-20-24(31-15-18)33-25(37-36-20)21(41)6-4-5-8-39-12-10-38(2)11-13-39;1-3-18-23(27)22-24(31-18)32-26(33-25(22)34-7-6-14(28)10-34)37-16-4-5-17-20(8-16)30-19(13(2)36)9-21(17)35-11-15(29)12-35;1-6-14-17(25)16-19(29-14)30-21(36-13-9-15-18(28-10-13)27-8-7-26-15)31-20(16)33-11-24(5,12-33)32-22(34)35-23(2,3)4;1-3-11-14(20)13-16(25-11)26-18(27-17(13)28-8-19(2,21)9-28)29-10-6-12-15(24-7-10)23-5-4-22-12;1-2-12-15(20)14-17(25-12)26-19(27-18(14)28-6-3-10(21)9-28)29-11-7-13-16(24-8-11)23-5-4-22-13;1-3-13-15(19)14-16(23-13)24-18(28-12-7-21-9-22-8-12)25-17(14)27-11-4-10(26-2)5-20-6-11;1-2(7)3(4,5)6;3*3-2(4,5)1(6)7/h14-15,17H,3-13,16,30H2,1-2H3,(H,32,34,35);4-5,8-9,14-15H,3,6-7,10-12,28-29H2,1-2H3,(H,31,32,33);7-10H,6,11-12H2,1-5H3,(H,32,34)(H,29,30,31);4-7H,3,8-9,21H2,1-2H3,(H,25,26,27);4-5,7-8,10H,2-3,6,9,21H2,1H3,(H,25,26,27);4-9H,3H2,1-2H3,(H,23,24,25);1H3;3*(H,6,7)/t17-;14-;;;10-;;;;;/m00..0...../s1.

What are the key properties of 1-[4-(3-aminoazetidin-1-yl)-7-[[4-[(3S)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]quinolin-2-yl]ethanone;1-[7-[[4-[(3S)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-e][1,2,4]triazin-3-yl]-5-(4-methylpiperazin-1-yl)pentan-1-one;tert-butyl N-[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-methylazetidin-3-yl]carbamate;5-chloro-6-ethyl-4-[(5-methoxy-3-pyridinyl)oxy]-2-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)-3-methylazetidin-3-amine;(3S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine;tris(2,2,2-trifluoroacetic acid);1,1,1-trifluoropropan-2-one?

1-[4-(3-aminoazetidin-1-yl)-7-[[4-[(3S)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]quinolin-2-yl]ethanone;1-[7-[[4-[(3S)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-e][1,2,4]triazin-3-yl]-5-(4-methylpiperazin-1-yl)pentan-1-one;tert-butyl N-[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-methylazetidin-3-yl]carbamate;5-chloro-6-ethyl-4-[(5-methoxy-3-pyridinyl)oxy]-2-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)-3-methylazetidin-3-amine;(3S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine;tris(2,2,2-trifluoroacetic acid);1,1,1-trifluoropropan-2-one has a molecular weight of 3381.14 g/mol, XLogP of 25.11, 35 rotatable bonds, 15 hydrogen bond donors, and 58 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(3-aminoazetidin-1-yl)-7-[[4-[(3S)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]quinolin-2-yl]ethanone;1-[7-[[4-[(3S)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-e][1,2,4]triazin-3-yl]-5-(4-methylpiperazin-1-yl)pentan-1-one;tert-butyl N-[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-methylazetidin-3-yl]carbamate;5-chloro-6-ethyl-4-[(5-methoxy-3-pyridinyl)oxy]-2-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)-3-methylazetidin-3-amine;(3S)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine;tris(2,2,2-trifluoroacetic acid);1,1,1-trifluoropropan-2-one is sourced from PubChem (CID 159239934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).