1-[(3R)-3-[[6-[2-(1,3-benzodioxol-5-yl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(4-chloro-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-(3-methylphenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-(2-naphthalen-2-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-[4-(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-[3-(trifluoromethyl)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-(trifluoromethyl)phenyl]ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one

C156H132ClF10N35O10 — CID 159282227

About 1-[(3R)-3-[[6-[2-(1,3-benzodioxol-5-yl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(4-chloro-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-(3-methylphenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-(2-naphthalen-2-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-[4-(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-[3-(trifluoromethyl)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-(trifluoromethyl)phenyl]ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one

1-[(3R)-3-[[6-[2-(1,3-benzodioxol-5-yl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(4-chloro-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-(3-methylphenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-(2-naphthalen-2-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-[4-(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-[3-(trifluoromethyl)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-(trifluoromethyl)phenyl]ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one (PubChem CID 159282227) has the molecular formula C156H132ClF10N35O10 and a molecular weight of 2882.44 g/mol. Its IUPAC name is 1-[(3R)-3-[[6-[2-(1,3-benzodioxol-5-yl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(4-chloro-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-(3-methylphenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-(2-naphthalen-2-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-[4-(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-[3-(trifluoromethyl)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-(trifluoromethyl)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-(1,3-benzodioxol-5-yl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(4-chloro-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-(3-methylphenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-(2-naphthalen-2-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-[4-(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-[3-(trifluoromethyl)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-(trifluoromethyl)phenyl]ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one
• PubChem CID: 159282227
• Molecular Formula: C156H132ClF10N35O10
• Molecular Weight: 2882.44 g/mol
• Exact Mass: 2880.04
• IUPAC Name: 1-[(3R)-3-[[6-[2-(1,3-benzodioxol-5-yl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(4-chloro-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-(3-methylphenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-(2-naphthalen-2-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-[4-(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-[3-(trifluoromethyl)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-(trifluoromethyl)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(C(F)(F)F)cc4)cc23)C1.C=CC(=O)N1CC[C@@H](Nc2ncnc3[nH]c(C#Cc4ccc(Cl)c(F)c4)cc23)C1.C=CC(=O)N1CC[C@@H](Nc2ncnc3[nH]c(C#Cc4ccc(OC(F)(F)F)cc4)cc23)C1.C=CC(=O)N1CC[C@@H](Nc2ncnc3[nH]c(C#Cc4ccc5c(c4)OCO5)cc23)C1.C=CC(=O)N1CC[C@@H](Nc2ncnc3[nH]c(C#Cc4ccc5ccccc5c4)cc23)C1.C=CC(=O)N1CC[C@@H](Nc2ncnc3[nH]c(C#Cc4cccc(C(F)(F)F)c4)cc23)C1.C=CC(=O)N1CC[C@@H](Nc2ncnc3[nH]c(C#Cc4cccc(C)c4)cc23)C1
• InChI: InChI=1S/C25H21N5O.C22H18F3N5O2.2C22H18F3N5O.C22H19N5O3.C22H21N5O.C21H17ClFN5O/c1-2-23(31)30-12-11-21(15-30)29-25-22-14-20(28-24(22)26-16-27-25)10-8-17-7-9-18-5-3-4-6-19(18)13-17;1-2-19(31)30-10-9-16(12-30)29-21-18-11-15(28-20(18)26-13-27-21)6-3-14-4-7-17(8-5-14)32-22(23,24)25;1-2-19(31)30-10-9-17(12-30)29-21-18-11-16(28-20(18)26-13-27-21)8-5-14-3-6-15(7-4-14)22(23,24)25;1-2-19(31)30-9-8-17(12-30)29-21-18-11-16(28-20(18)26-13-27-21)7-6-14-4-3-5-15(10-14)22(23,24)25;1-2-20(28)27-8-7-16(11-27)26-22-17-10-15(25-21(17)23-12-24-22)5-3-14-4-6-18-19(9-14)30-13-29-18;1-3-20(28)27-10-9-18(13-27)26-22-19-12-17(25-21(19)23-14-24-22)8-7-16-6-4-5-15(2)11-16;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/h2-7,9,13-14,16,21H,1,11-12,15H2,(H2,26,27,28,29);2,4-5,7-8,11,13,16H,1,9-10,12H2,(H2,26,27,28,29);2-4,6-7,11,13,17H,1,9-10,12H2,(H2,26,27,28,29);2-5,10-11,13,17H,1,8-9,12H2,(H2,26,27,28,29);2,4,6,9-10,12,16H,1,7-8,11,13H2,(H2,23,24,25,26);3-6,11-12,14,18H,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)/t21-;16-;2*17-;16-;18-;15-/m1111111/s1
• InChIKey: KZBHTJFYOXHHMZ-RMMZVPORSA-N
• XLogP: 22.81
• TPSA: 545.06 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 31
• Rotatable Bonds: 22
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2882.44
LogP ≤ 5	22.81
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	31

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-(1,3-benzodioxol-5-yl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(4-chloro-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-(3-methylphenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-(2-naphthalen-2-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-[4-(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-[3-(trifluoromethyl)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-(trifluoromethyl)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-(1,3-benzodioxol-5-yl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(4-chloro-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-(3-methylphenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-(2-naphthalen-2-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-[4-(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-[3-(trifluoromethyl)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-(trifluoromethyl)phenyl]ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one (CID 159282227) is 1-[(3R)-3-[[6-[2-(1,3-benzodioxol-5-yl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(4-chloro-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-(3-methylphenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-(2-naphthalen-2-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-[4-(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-[3-(trifluoromethyl)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-(trifluoromethyl)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-(1,3-benzodioxol-5-yl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(4-chloro-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-(3-methylphenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-(2-naphthalen-2-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-[4-(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-[3-(trifluoromethyl)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-(trifluoromethyl)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-(1,3-benzodioxol-5-yl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(4-chloro-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-(3-methylphenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-(2-naphthalen-2-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-[4-(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-[3-(trifluoromethyl)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-(trifluoromethyl)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(C(F)(F)F)cc4)cc23)C1.C=CC(=O)N1CC[C@@H](Nc2ncnc3[nH]c(C#Cc4ccc(Cl)c(F)c4)cc23)C1.C=CC(=O)N1CC[C@@H](Nc2ncnc3[nH]c(C#Cc4ccc(OC(F)(F)F)cc4)cc23)C1.C=CC(=O)N1CC[C@@H](Nc2ncnc3[nH]c(C#Cc4ccc5c(c4)OCO5)cc23)C1.C=CC(=O)N1CC[C@@H](Nc2ncnc3[nH]c(C#Cc4ccc5ccccc5c4)cc23)C1.C=CC(=O)N1CC[C@@H](Nc2ncnc3[nH]c(C#Cc4cccc(C(F)(F)F)c4)cc23)C1.C=CC(=O)N1CC[C@@H](Nc2ncnc3[nH]c(C#Cc4cccc(C)c4)cc23)C1.

What is the InChIKey of 1-[(3R)-3-[[6-[2-(1,3-benzodioxol-5-yl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(4-chloro-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-(3-methylphenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-(2-naphthalen-2-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-[4-(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-[3-(trifluoromethyl)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-(trifluoromethyl)phenyl]ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one?

The InChIKey is KZBHTJFYOXHHMZ-RMMZVPORSA-N. The full InChI is InChI=1S/C25H21N5O.C22H18F3N5O2.2C22H18F3N5O.C22H19N5O3.C22H21N5O.C21H17ClFN5O/c1-2-23(31)30-12-11-21(15-30)29-25-22-14-20(28-24(22)26-16-27-25)10-8-17-7-9-18-5-3-4-6-19(18)13-17;1-2-19(31)30-10-9-16(12-30)29-21-18-11-15(28-20(18)26-13-27-21)6-3-14-4-7-17(8-5-14)32-22(23,24)25;1-2-19(31)30-10-9-17(12-30)29-21-18-11-16(28-20(18)26-13-27-21)8-5-14-3-6-15(7-4-14)22(23,24)25;1-2-19(31)30-9-8-17(12-30)29-21-18-11-16(28-20(18)26-13-27-21)7-6-14-4-3-5-15(10-14)22(23,24)25;1-2-20(28)27-8-7-16(11-27)26-22-17-10-15(25-21(17)23-12-24-22)5-3-14-4-6-18-19(9-14)30-13-29-18;1-3-20(28)27-10-9-18(13-27)26-22-19-12-17(25-21(19)23-14-24-22)8-7-16-6-4-5-15(2)11-16;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/h2-7,9,13-14,16,21H,1,11-12,15H2,(H2,26,27,28,29);2,4-5,7-8,11,13,16H,1,9-10,12H2,(H2,26,27,28,29);2-4,6-7,11,13,17H,1,9-10,12H2,(H2,26,27,28,29);2-5,10-11,13,17H,1,8-9,12H2,(H2,26,27,28,29);2,4,6,9-10,12,16H,1,7-8,11,13H2,(H2,23,24,25,26);3-6,11-12,14,18H,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)/t21-;16-;2*17-;16-;18-;15-/m1111111/s1.

What are the key properties of 1-[(3R)-3-[[6-[2-(1,3-benzodioxol-5-yl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(4-chloro-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-(3-methylphenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-(2-naphthalen-2-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-[4-(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-[3-(trifluoromethyl)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-(trifluoromethyl)phenyl]ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one?

1-[(3R)-3-[[6-[2-(1,3-benzodioxol-5-yl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(4-chloro-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-(3-methylphenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-(2-naphthalen-2-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-[4-(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-[3-(trifluoromethyl)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-(trifluoromethyl)phenyl]ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one has a molecular weight of 2882.44 g/mol, XLogP of 22.81, 22 rotatable bonds, 14 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R)-3-[[6-[2-(1,3-benzodioxol-5-yl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(4-chloro-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-(3-methylphenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-(2-naphthalen-2-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-[4-(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-[3-(trifluoromethyl)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-(trifluoromethyl)phenyl]ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 159282227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).