1-[(3R)-3-[[6-(2-cyclohexylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(furan-3-yl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;bis(1-[(3R)-3-[[6-[2-(1H-inden-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-quinolin-6-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-(2-thiophen-2-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-(2-thiophen-3-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one

C150H138N36O8S2 — CID 158609245

IUPAC1-[(3R)-3-[[6-(2-cyclohexylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(furan-3-yl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;bis(1-[(3R)-3-[[6-[2-(1H-inden-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-quinolin-6-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-(2-thiophen-2-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-(2-thiophen-3-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CC[C@@H](Nc2ncnc3[nH]c(C#CC4CCCCC4)cc23)C1.C=CC(=O)N1CC[C@@H](Nc2ncnc3[nH]c(C#Cc4ccc5c(c4)C=CC5)cc23)C1.C=CC(=O)N1CC[C@@H](Nc2ncnc3[nH]c(C#Cc4ccc5c(c4)C=CC5)cc23)C1.C=CC(=O)N1CC[C@@H](Nc2ncnc3[nH]c(C#Cc4ccc5ncccc5c4)cc23)C1.C=CC(=O)N1CC[C@@H](Nc2ncnc3[nH]c(C#Cc4cccs4)cc23)C1.C=CC(=O)N1CC[C@@H](Nc2ncnc3[nH]c(C#Cc4ccoc4)cc23)C1.C=CC(=O)N1CC[C@@H](Nc2ncnc3[nH]c(C#Cc4ccsc4)cc23)C1
InChIInChI=1S/C24H20N6O.2C24H21N5O.C21H25N5O.C19H17N5O2.2C19H17N5OS/c1-2-22(31)30-11-9-19(14-30)29-24-20-13-18(28-23(20)26-15-27-24)7-5-16-6-8-21-17(12-16)4-3-10-25-21;2*1-2-22(30)29-11-10-20(14-29)28-24-21-13-19(27-23(21)25-15-26-24)9-7-16-6-8-17-4-3-5-18(17)12-16;1-2-19(27)26-11-10-17(13-26)25-21-18-12-16(24-20(18)22-14-23-21)9-8-15-6-4-3-5-7-15;2*1-2-17(25)24-7-5-15(10-24)23-19-16-9-14(22-18(16)20-12-21-19)4-3-13-6-8-26-11-13;1-2-17(25)24-8-7-14(11-24)23-19-16-10-13(22-18(16)20-12-21-19)5-6-15-4-3-9-26-15/h2-4,6,8,10,12-13,15,19H,1,9,11,14H2,(H2,26,27,28,29);2*2-3,5-6,8,12-13,15,20H,1,4,10-11,14H2,(H2,25,26,27,28);2,12,14-15,17H,1,3-7,10-11,13H2,(H2,22,23,24,25);2*2,6,8-9,11-12,15H,1,5,7,10H2,(H2,20,21,22,23);2-4,9-10,12,14H,1,7-8,11H2,(H2,20,21,22,23)/t19-;2*20-;17-;2*15-;14-/m1111111/s1
InChIKeyHWPVFNNTHQRJQQ-UCCXYIJPSA-N
MW2637.13 g/mol
LogP19.83
Rot. Bonds21

About 1-[(3R)-3-[[6-(2-cyclohexylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(furan-3-yl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;bis(1-[(3R)-3-[[6-[2-(1H-inden-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-quinolin-6-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-(2-thiophen-2-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-(2-thiophen-3-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one

1-[(3R)-3-[[6-(2-cyclohexylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(furan-3-yl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;bis(1-[(3R)-3-[[6-[2-(1H-inden-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-quinolin-6-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-(2-thiophen-2-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-(2-thiophen-3-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one (PubChem CID 158609245) has the molecular formula C150H138N36O8S2 and a molecular weight of 2637.13 g/mol. Its IUPAC name is 1-[(3R)-3-[[6-(2-cyclohexylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(furan-3-yl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;bis(1-[(3R)-3-[[6-[2-(1H-inden-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-quinolin-6-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-(2-thiophen-2-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-(2-thiophen-3-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[(3R)-3-[[6-(2-cyclohexylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(furan-3-yl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;bis(1-[(3R)-3-[[6-[2-(1H-inden-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-quinolin-6-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-(2-thiophen-2-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-(2-thiophen-3-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one
PubChem CID158609245
Molecular FormulaC150H138N36O8S2
Molecular Weight2637.13 g/mol
Exact Mass2635.09
IUPAC Name1-[(3R)-3-[[6-(2-cyclohexylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(furan-3-yl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;bis(1-[(3R)-3-[[6-[2-(1H-inden-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-quinolin-6-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-(2-thiophen-2-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-(2-thiophen-3-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CC[C@@H](Nc2ncnc3[nH]c(C#CC4CCCCC4)cc23)C1.C=CC(=O)N1CC[C@@H](Nc2ncnc3[nH]c(C#Cc4ccc5c(c4)C=CC5)cc23)C1.C=CC(=O)N1CC[C@@H](Nc2ncnc3[nH]c(C#Cc4ccc5c(c4)C=CC5)cc23)C1.C=CC(=O)N1CC[C@@H](Nc2ncnc3[nH]c(C#Cc4ccc5ncccc5c4)cc23)C1.C=CC(=O)N1CC[C@@H](Nc2ncnc3[nH]c(C#Cc4cccs4)cc23)C1.C=CC(=O)N1CC[C@@H](Nc2ncnc3[nH]c(C#Cc4ccoc4)cc23)C1.C=CC(=O)N1CC[C@@H](Nc2ncnc3[nH]c(C#Cc4ccsc4)cc23)C1
InChIInChI=1S/C24H20N6O.2C24H21N5O.C21H25N5O.C19H17N5O2.2C19H17N5OS/c1-2-22(31)30-11-9-19(14-30)29-24-20-13-18(28-23(20)26-15-27-24)7-5-16-6-8-21-17(12-16)4-3-10-25-21;2*1-2-22(30)29-11-10-20(14-29)28-24-21-13-19(27-23(21)25-15-26-24)9-7-16-6-8-17-4-3-5-18(17)12-16;1-2-19(27)26-11-10-17(13-26)25-21-18-12-16(24-20(18)22-14-23-21)9-8-15-6-4-3-5-7-15;2*1-2-17(25)24-7-5-15(10-24)23-19-16-9-14(22-18(16)20-12-21-19)4-3-13-6-8-26-11-13;1-2-17(25)24-8-7-14(11-24)23-19-16-10-13(22-18(16)20-12-21-19)5-6-15-4-3-9-26-15/h2-4,6,8,10,12-13,15,19H,1,9,11,14H2,(H2,26,27,28,29);2*2-3,5-6,8,12-13,15,20H,1,4,10-11,14H2,(H2,25,26,27,28);2,12,14-15,17H,1,3-7,10-11,13H2,(H2,22,23,24,25);2*2,6,8-9,11-12,15H,1,5,7,10H2,(H2,20,21,22,23);2-4,9-10,12,14H,1,7-8,11H2,(H2,20,21,22,23)/t19-;2*20-;17-;2*15-;14-/m1111111/s1
InChIKeyHWPVFNNTHQRJQQ-UCCXYIJPSA-N
XLogP19.83
TPSA543.40 Ų
H-Bond Donors14
H-Bond Acceptors32
Rotatable Bonds21
Heavy Atoms196
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002637.13
LogP ≤ 519.83
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze 1-[(3R)-3-[[6-(2-cyclohexylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(furan-3-yl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;bis(1-[(3R)-3-[[6-[2-(1H-inden-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-quinolin-6-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-(2-thiophen-2-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-(2-thiophen-3-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[[6-(2-cyclohexylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(furan-3-yl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;bis(1-[(3R)-3-[[6-[2-(1H-inden-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-quinolin-6-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-(2-thiophen-2-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-(2-thiophen-3-ylethynyl)-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-cyclohexylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(furan-3-yl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;bis(1-[(3R)-3-[[6-[2-(1H-inden-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-quinolin-6-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-(2-thiophen-2-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-(2-thiophen-3-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one (CID 158609245) is 1-[(3R)-3-[[6-(2-cyclohexylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(furan-3-yl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;bis(1-[(3R)-3-[[6-[2-(1H-inden-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-quinolin-6-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-(2-thiophen-2-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-(2-thiophen-3-ylethynyl)-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-cyclohexylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(furan-3-yl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;bis(1-[(3R)-3-[[6-[2-(1H-inden-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-quinolin-6-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-(2-thiophen-2-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-(2-thiophen-3-ylethynyl)-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-cyclohexylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(furan-3-yl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;bis(1-[(3R)-3-[[6-[2-(1H-inden-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-quinolin-6-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-(2-thiophen-2-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-(2-thiophen-3-ylethynyl)-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#CC4CCCCC4)cc23)C1.C=CC(=O)N1CC[C@@H](Nc2ncnc3[nH]c(C#Cc4ccc5c(c4)C=CC5)cc23)C1.C=CC(=O)N1CC[C@@H](Nc2ncnc3[nH]c(C#Cc4ccc5c(c4)C=CC5)cc23)C1.C=CC(=O)N1CC[C@@H](Nc2ncnc3[nH]c(C#Cc4ccc5ncccc5c4)cc23)C1.C=CC(=O)N1CC[C@@H](Nc2ncnc3[nH]c(C#Cc4cccs4)cc23)C1.C=CC(=O)N1CC[C@@H](Nc2ncnc3[nH]c(C#Cc4ccoc4)cc23)C1.C=CC(=O)N1CC[C@@H](Nc2ncnc3[nH]c(C#Cc4ccsc4)cc23)C1.
What is the InChIKey of 1-[(3R)-3-[[6-(2-cyclohexylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(furan-3-yl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;bis(1-[(3R)-3-[[6-[2-(1H-inden-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-quinolin-6-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-(2-thiophen-2-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-(2-thiophen-3-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one?
The InChIKey is HWPVFNNTHQRJQQ-UCCXYIJPSA-N. The full InChI is InChI=1S/C24H20N6O.2C24H21N5O.C21H25N5O.C19H17N5O2.2C19H17N5OS/c1-2-22(31)30-11-9-19(14-30)29-24-20-13-18(28-23(20)26-15-27-24)7-5-16-6-8-21-17(12-16)4-3-10-25-21;2*1-2-22(30)29-11-10-20(14-29)28-24-21-13-19(27-23(21)25-15-26-24)9-7-16-6-8-17-4-3-5-18(17)12-16;1-2-19(27)26-11-10-17(13-26)25-21-18-12-16(24-20(18)22-14-23-21)9-8-15-6-4-3-5-7-15;2*1-2-17(25)24-7-5-15(10-24)23-19-16-9-14(22-18(16)20-12-21-19)4-3-13-6-8-26-11-13;1-2-17(25)24-8-7-14(11-24)23-19-16-10-13(22-18(16)20-12-21-19)5-6-15-4-3-9-26-15/h2-4,6,8,10,12-13,15,19H,1,9,11,14H2,(H2,26,27,28,29);2*2-3,5-6,8,12-13,15,20H,1,4,10-11,14H2,(H2,25,26,27,28);2,12,14-15,17H,1,3-7,10-11,13H2,(H2,22,23,24,25);2*2,6,8-9,11-12,15H,1,5,7,10H2,(H2,20,21,22,23);2-4,9-10,12,14H,1,7-8,11H2,(H2,20,21,22,23)/t19-;2*20-;17-;2*15-;14-/m1111111/s1.
What are the key properties of 1-[(3R)-3-[[6-(2-cyclohexylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(furan-3-yl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;bis(1-[(3R)-3-[[6-[2-(1H-inden-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-quinolin-6-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-(2-thiophen-2-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-(2-thiophen-3-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one?
1-[(3R)-3-[[6-(2-cyclohexylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(furan-3-yl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;bis(1-[(3R)-3-[[6-[2-(1H-inden-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-quinolin-6-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-(2-thiophen-2-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-(2-thiophen-3-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one has a molecular weight of 2637.13 g/mol, XLogP of 19.83, 21 rotatable bonds, 14 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[[6-(2-cyclohexylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(furan-3-yl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;bis(1-[(3R)-3-[[6-[2-(1H-inden-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-quinolin-6-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-(2-thiophen-2-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-(2-thiophen-3-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 158609245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).