1-[(3R)-3-[[6-[2-(4-chlorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(3,4-dichlorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(3-fluorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(4-fluorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(3-methoxyphenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-[3-(trifluoromethoxy)phenyl]ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one

C128H110Cl3F5N30O8 — CID 157125473

About 1-[(3R)-3-[[6-[2-(4-chlorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(3,4-dichlorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(3-fluorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(4-fluorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(3-methoxyphenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-[3-(trifluoromethoxy)phenyl]ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one

1-[(3R)-3-[[6-[2-(4-chlorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(3,4-dichlorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(3-fluorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(4-fluorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(3-methoxyphenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-[3-(trifluoromethoxy)phenyl]ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one (PubChem CID 157125473) has the molecular formula C128H110Cl3F5N30O8 and a molecular weight of 2397.84 g/mol. Its IUPAC name is 1-[(3R)-3-[[6-[2-(4-chlorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(3,4-dichlorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(3-fluorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(4-fluorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(3-methoxyphenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-[3-(trifluoromethoxy)phenyl]ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one.

Molecular Properties

• Compound Name: 1-[(3R)-3-[[6-[2-(4-chlorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(3,4-dichlorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(3-fluorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(4-fluorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(3-methoxyphenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-[3-(trifluoromethoxy)phenyl]ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one
• PubChem CID: 157125473
• Molecular Formula: C128H110Cl3F5N30O8
• Molecular Weight: 2397.84 g/mol
• Exact Mass: 2394.81
• IUPAC Name: 1-[(3R)-3-[[6-[2-(4-chlorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(3,4-dichlorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(3-fluorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(4-fluorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(3-methoxyphenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-[3-(trifluoromethoxy)phenyl]ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one
• SMILES: C=CC(=O)N1CC[C@@H](Nc2ncnc3[nH]c(C#Cc4ccc(Cl)c(Cl)c4)cc23)C1.C=CC(=O)N1CC[C@@H](Nc2ncnc3[nH]c(C#Cc4ccc(Cl)cc4)cc23)C1.C=CC(=O)N1CC[C@@H](Nc2ncnc3[nH]c(C#Cc4ccc(F)cc4)cc23)C1.C=CC(=O)N1CC[C@@H](Nc2ncnc3[nH]c(C#Cc4cccc(F)c4)cc23)C1.C=CC(=O)N1CC[C@@H](Nc2ncnc3[nH]c(C#Cc4cccc(OC(F)(F)F)c4)cc23)C1.C=CC(=O)N1CC[C@@H](Nc2ncnc3[nH]c(C#Cc4cccc(OC)c4)cc23)C1
• InChI: InChI=1S/C22H18F3N5O2.C22H21N5O2.C21H17Cl2N5O.C21H18ClN5O.2C21H18FN5O/c1-2-19(31)30-9-8-16(12-30)29-21-18-11-15(28-20(18)26-13-27-21)7-6-14-4-3-5-17(10-14)32-22(23,24)25;1-3-20(28)27-10-9-17(13-27)26-22-19-12-16(25-21(19)23-14-24-22)8-7-15-5-4-6-18(11-15)29-2;1-2-19(29)28-8-7-15(11-28)27-21-16-10-14(26-20(16)24-12-25-21)5-3-13-4-6-17(22)18(23)9-13;2*1-2-19(28)27-10-9-17(12-27)26-21-18-11-16(25-20(18)23-13-24-21)8-5-14-3-6-15(22)7-4-14;1-2-19(28)27-9-8-17(12-27)26-21-18-11-16(25-20(18)23-13-24-21)7-6-14-4-3-5-15(22)10-14/h2-5,10-11,13,16H,1,8-9,12H2,(H2,26,27,28,29);3-6,11-12,14,17H,1,9-10,13H2,2H3,(H2,23,24,25,26);2,4,6,9-10,12,15H,1,7-8,11H2,(H2,24,25,26,27);2*2-4,6-7,11,13,17H,1,9-10,12H2,(H2,23,24,25,26);2-5,10-11,13,17H,1,8-9,12H2,(H2,23,24,25,26)/t16-;17-;15-;3*17-/m111111/s1
• InChIKey: AILNTCPILDXHPS-AOOXWKJOSA-N
• XLogP: 18.48
• TPSA: 461.92 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 26
• Rotatable Bonds: 20
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2397.84
LogP ≤ 5	18.48
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[[6-[2-(4-chlorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(3,4-dichlorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(3-fluorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(4-fluorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(3-methoxyphenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-[3-(trifluoromethoxy)phenyl]ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one?

The IUPAC name of 1-[(3R)-3-[[6-[2-(4-chlorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(3,4-dichlorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(3-fluorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(4-fluorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(3-methoxyphenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-[3-(trifluoromethoxy)phenyl]ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one (CID 157125473) is 1-[(3R)-3-[[6-[2-(4-chlorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(3,4-dichlorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(3-fluorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(4-fluorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(3-methoxyphenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-[3-(trifluoromethoxy)phenyl]ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one.

What is the SMILES notation for 1-[(3R)-3-[[6-[2-(4-chlorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(3,4-dichlorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(3-fluorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(4-fluorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(3-methoxyphenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-[3-(trifluoromethoxy)phenyl]ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one?

The canonical SMILES for 1-[(3R)-3-[[6-[2-(4-chlorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(3,4-dichlorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(3-fluorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(4-fluorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(3-methoxyphenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-[3-(trifluoromethoxy)phenyl]ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CC[C@@H](Nc2ncnc3[nH]c(C#Cc4ccc(Cl)c(Cl)c4)cc23)C1.C=CC(=O)N1CC[C@@H](Nc2ncnc3[nH]c(C#Cc4ccc(Cl)cc4)cc23)C1.C=CC(=O)N1CC[C@@H](Nc2ncnc3[nH]c(C#Cc4ccc(F)cc4)cc23)C1.C=CC(=O)N1CC[C@@H](Nc2ncnc3[nH]c(C#Cc4cccc(F)c4)cc23)C1.C=CC(=O)N1CC[C@@H](Nc2ncnc3[nH]c(C#Cc4cccc(OC(F)(F)F)c4)cc23)C1.C=CC(=O)N1CC[C@@H](Nc2ncnc3[nH]c(C#Cc4cccc(OC)c4)cc23)C1.

What is the InChIKey of 1-[(3R)-3-[[6-[2-(4-chlorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(3,4-dichlorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(3-fluorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(4-fluorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(3-methoxyphenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-[3-(trifluoromethoxy)phenyl]ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one?

The InChIKey is AILNTCPILDXHPS-AOOXWKJOSA-N. The full InChI is InChI=1S/C22H18F3N5O2.C22H21N5O2.C21H17Cl2N5O.C21H18ClN5O.2C21H18FN5O/c1-2-19(31)30-9-8-16(12-30)29-21-18-11-15(28-20(18)26-13-27-21)7-6-14-4-3-5-17(10-14)32-22(23,24)25;1-3-20(28)27-10-9-17(13-27)26-22-19-12-16(25-21(19)23-14-24-22)8-7-15-5-4-6-18(11-15)29-2;1-2-19(29)28-8-7-15(11-28)27-21-16-10-14(26-20(16)24-12-25-21)5-3-13-4-6-17(22)18(23)9-13;2*1-2-19(28)27-10-9-17(12-27)26-21-18-11-16(25-20(18)23-13-24-21)8-5-14-3-6-15(22)7-4-14;1-2-19(28)27-9-8-17(12-27)26-21-18-11-16(25-20(18)23-13-24-21)7-6-14-4-3-5-15(22)10-14/h2-5,10-11,13,16H,1,8-9,12H2,(H2,26,27,28,29);3-6,11-12,14,17H,1,9-10,13H2,2H3,(H2,23,24,25,26);2,4,6,9-10,12,15H,1,7-8,11H2,(H2,24,25,26,27);2*2-4,6-7,11,13,17H,1,9-10,12H2,(H2,23,24,25,26);2-5,10-11,13,17H,1,8-9,12H2,(H2,23,24,25,26)/t16-;17-;15-;3*17-/m111111/s1.

What are the key properties of 1-[(3R)-3-[[6-[2-(4-chlorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(3,4-dichlorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(3-fluorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(4-fluorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(3-methoxyphenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-[3-(trifluoromethoxy)phenyl]ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one?

1-[(3R)-3-[[6-[2-(4-chlorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(3,4-dichlorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(3-fluorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(4-fluorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(3-methoxyphenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-[3-(trifluoromethoxy)phenyl]ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one has a molecular weight of 2397.84 g/mol, XLogP of 18.48, 20 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R)-3-[[6-[2-(4-chlorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(3,4-dichlorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(3-fluorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(4-fluorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(3-methoxyphenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-[3-(trifluoromethoxy)phenyl]ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 157125473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).