N-cyclobutyl-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-methyl-4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]butanamide;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(3-morpholin-4-ylpropyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-[2-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]ethyl]acetamide;N-[3-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]propyl]acetamide
C121H145N47O5S6 — CID 159527237
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACN-cyclobutyl-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-methyl-4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]butanamide;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(3-morpholin-4-ylpropyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-[2-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]ethyl]acetamide;N-[3-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]propyl]acetamide
SMILESCC(=O)NCCCNc1nc(Cc2cc(C)ns2)nc2ccn(-c3cnn(C)c3)c12.CC(=O)NCCNc1nc(Cc2cc(C)ns2)nc2ccn(-c3cnn(C)c3)c12.CNC(=O)CCCNc1nc(Cc2cc(C)ns2)nc2ccn(-c3cnn(C)c3)c12.Cc1cc(Cc2nc(NC3CCC3)c3c(ccn3-c3cnn(C)c3)n2)sn1.Cc1cc(Cc2nc(NCCCN3CCOCC3)c3c(ccn3-c3cnn(C)c3)n2)sn1.Cc1cc(Cc2nc(NCCN3CCOCC3)c3c(ccn3-c3cnn(C)c3)n2)sn1
InChIInChI=1S/C22H28N8OS.C21H26N8OS.2C20H24N8OS.C19H22N8OS.C19H21N7S/c1-16-12-18(32-27-16)13-20-25-19-4-7-30(17-14-24-28(2)15-17)21(19)22(26-20)23-5-3-6-29-8-10-31-11-9-29;1-15-11-17(31-26-15)12-19-24-18-3-5-29(16-13-23-27(2)14-16)20(18)21(25-19)22-4-6-28-7-9-30-10-8-28;1-13-9-16(30-26-13)10-18-24-17-5-8-28(15-11-23-27(3)12-15)19(17)20(25-18)22-7-4-6-21-14(2)29;1-13-9-15(30-26-13)10-17-24-16-6-8-28(14-11-23-27(3)12-14)19(16)20(25-17)22-7-4-5-18(29)21-2;1-12-8-15(29-25-12)9-17-23-16-4-7-27(14-10-22-26(3)11-14)18(16)19(24-17)21-6-5-20-13(2)28;1-12-8-15(27-24-12)9-17-22-16-6-7-26(14-10-20-25(2)11-14)18(16)19(23-17)21-13-4-3-5-13/h4,7,12,14-15H,3,5-6,8-11,13H2,1-2H3,(H,23,25,26);3,5,11,13-14H,4,6-10,12H2,1-2H3,(H,22,24,25);5,8-9,11-12H,4,6-7,10H2,1-3H3,(H,21,29)(H,22,24,25);6,8-9,11-12H,4-5,7,10H2,1-3H3,(H,21,29)(H,22,24,25);4,7-8,10-11H,5-6,9H2,1-3H3,(H,20,28)(H,21,23,24);6-8,10-11,13H,3-5,9H2,1-2H3,(H,21,22,23)
InChIKeyMCNPZNWKQAHODB-UHFFFAOYSA-N
MW2530.22 g/mol
LogP15.33
Rot. Bonds43
About N-cyclobutyl-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-methyl-4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]butanamide;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(3-morpholin-4-ylpropyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-[2-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]ethyl]acetamide;N-[3-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]propyl]acetamide
N-cyclobutyl-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-methyl-4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]butanamide;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(3-morpholin-4-ylpropyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-[2-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]ethyl]acetamide;N-[3-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]propyl]acetamide (PubChem CID 159527237) has the molecular formula C121H145N47O5S6 and a molecular weight of 2530.22 g/mol. Its IUPAC name is N-cyclobutyl-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-methyl-4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]butanamide;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(3-morpholin-4-ylpropyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-[2-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]ethyl]acetamide;N-[3-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]propyl]acetamide.
Molecular Properties
| Compound Name | N-cyclobutyl-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-methyl-4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]butanamide;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(3-morpholin-4-ylpropyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-[2-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]ethyl]acetamide;N-[3-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]propyl]acetamide |
|---|---|
| PubChem CID | 159527237 |
| Molecular Formula | C121H145N47O5S6 |
| Molecular Weight | 2530.22 g/mol |
| Exact Mass | 2528.09 |
| IUPAC Name | N-cyclobutyl-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-methyl-4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]butanamide;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(3-morpholin-4-ylpropyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-[2-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]ethyl]acetamide;N-[3-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]propyl]acetamide |
| SMILES | CC(=O)NCCCNc1nc(Cc2cc(C)ns2)nc2ccn(-c3cnn(C)c3)c12.CC(=O)NCCNc1nc(Cc2cc(C)ns2)nc2ccn(-c3cnn(C)c3)c12.CNC(=O)CCCNc1nc(Cc2cc(C)ns2)nc2ccn(-c3cnn(C)c3)c12.Cc1cc(Cc2nc(NC3CCC3)c3c(ccn3-c3cnn(C)c3)n2)sn1.Cc1cc(Cc2nc(NCCCN3CCOCC3)c3c(ccn3-c3cnn(C)c3)n2)sn1.Cc1cc(Cc2nc(NCCN3CCOCC3)c3c(ccn3-c3cnn(C)c3)n2)sn1 |
| InChI | InChI=1S/C22H28N8OS.C21H26N8OS.2C20H24N8OS.C19H22N8OS.C19H21N7S/c1-16-12-18(32-27-16)13-20-25-19-4-7-30(17-14-24-28(2)15-17)21(19)22(26-20)23-5-3-6-29-8-10-31-11-9-29;1-15-11-17(31-26-15)12-19-24-18-3-5-29(16-13-23-27(2)14-16)20(18)21(25-19)22-4-6-28-7-9-30-10-8-28;1-13-9-16(30-26-13)10-18-24-17-5-8-28(15-11-23-27(3)12-15)19(17)20(25-18)22-7-4-6-21-14(2)29;1-13-9-15(30-26-13)10-17-24-16-6-8-28(14-11-23-27(3)12-14)19(16)20(25-17)22-7-4-5-18(29)21-2;1-12-8-15(29-25-12)9-17-23-16-4-7-27(14-10-22-26(3)11-14)18(16)19(24-17)21-6-5-20-13(2)28;1-12-8-15(27-24-12)9-17-22-16-6-7-26(14-10-20-25(2)11-14)18(16)19(23-17)21-13-4-3-5-13/h4,7,12,14-15H,3,5-6,8-11,13H2,1-2H3,(H,23,25,26);3,5,11,13-14H,4,6-10,12H2,1-2H3,(H,22,24,25);5,8-9,11-12H,4,6-7,10H2,1-3H3,(H,21,29)(H,22,24,25);6,8-9,11-12H,4-5,7,10H2,1-3H3,(H,21,29)(H,22,24,25);4,7-8,10-11H,5-6,9H2,1-3H3,(H,20,28)(H,21,23,24);6-8,10-11,13H,3-5,9H2,1-2H3,(H,21,22,23) |
| InChIKey | MCNPZNWKQAHODB-UHFFFAOYSA-N |
| XLogP | 15.33 |
| TPSA | 552.94 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 55 |
| Rotatable Bonds | 43 |
| Heavy Atoms | 179 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2530.22 |
| LogP ≤ 5 | 15.33 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 55 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of N-cyclobutyl-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-methyl-4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]butanamide;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(3-morpholin-4-ylpropyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-[2-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]ethyl]acetamide;N-[3-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]propyl]acetamide?
The IUPAC name of N-cyclobutyl-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-methyl-4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]butanamide;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(3-morpholin-4-ylpropyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-[2-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]ethyl]acetamide;N-[3-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]propyl]acetamide (CID 159527237) is N-cyclobutyl-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-methyl-4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]butanamide;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(3-morpholin-4-ylpropyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-[2-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]ethyl]acetamide;N-[3-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]propyl]acetamide.
What is the SMILES notation for N-cyclobutyl-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-methyl-4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]butanamide;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(3-morpholin-4-ylpropyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-[2-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]ethyl]acetamide;N-[3-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]propyl]acetamide?
The canonical SMILES for N-cyclobutyl-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-methyl-4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]butanamide;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(3-morpholin-4-ylpropyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-[2-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]ethyl]acetamide;N-[3-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]propyl]acetamide is CC(=O)NCCCNc1nc(Cc2cc(C)ns2)nc2ccn(-c3cnn(C)c3)c12.CC(=O)NCCNc1nc(Cc2cc(C)ns2)nc2ccn(-c3cnn(C)c3)c12.CNC(=O)CCCNc1nc(Cc2cc(C)ns2)nc2ccn(-c3cnn(C)c3)c12.Cc1cc(Cc2nc(NC3CCC3)c3c(ccn3-c3cnn(C)c3)n2)sn1.Cc1cc(Cc2nc(NCCCN3CCOCC3)c3c(ccn3-c3cnn(C)c3)n2)sn1.Cc1cc(Cc2nc(NCCN3CCOCC3)c3c(ccn3-c3cnn(C)c3)n2)sn1.
What is the InChIKey of N-cyclobutyl-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-methyl-4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]butanamide;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(3-morpholin-4-ylpropyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-[2-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]ethyl]acetamide;N-[3-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]propyl]acetamide?
The InChIKey is MCNPZNWKQAHODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N8OS.C21H26N8OS.2C20H24N8OS.C19H22N8OS.C19H21N7S/c1-16-12-18(32-27-16)13-20-25-19-4-7-30(17-14-24-28(2)15-17)21(19)22(26-20)23-5-3-6-29-8-10-31-11-9-29;1-15-11-17(31-26-15)12-19-24-18-3-5-29(16-13-23-27(2)14-16)20(18)21(25-19)22-4-6-28-7-9-30-10-8-28;1-13-9-16(30-26-13)10-18-24-17-5-8-28(15-11-23-27(3)12-15)19(17)20(25-18)22-7-4-6-21-14(2)29;1-13-9-15(30-26-13)10-17-24-16-6-8-28(14-11-23-27(3)12-14)19(16)20(25-17)22-7-4-5-18(29)21-2;1-12-8-15(29-25-12)9-17-23-16-4-7-27(14-10-22-26(3)11-14)18(16)19(24-17)21-6-5-20-13(2)28;1-12-8-15(27-24-12)9-17-22-16-6-7-26(14-10-20-25(2)11-14)18(16)19(23-17)21-13-4-3-5-13/h4,7,12,14-15H,3,5-6,8-11,13H2,1-2H3,(H,23,25,26);3,5,11,13-14H,4,6-10,12H2,1-2H3,(H,22,24,25);5,8-9,11-12H,4,6-7,10H2,1-3H3,(H,21,29)(H,22,24,25);6,8-9,11-12H,4-5,7,10H2,1-3H3,(H,21,29)(H,22,24,25);4,7-8,10-11H,5-6,9H2,1-3H3,(H,20,28)(H,21,23,24);6-8,10-11,13H,3-5,9H2,1-2H3,(H,21,22,23).
What are the key properties of N-cyclobutyl-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-methyl-4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]butanamide;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(3-morpholin-4-ylpropyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-[2-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]ethyl]acetamide;N-[3-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]propyl]acetamide?
N-cyclobutyl-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-methyl-4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]butanamide;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(3-morpholin-4-ylpropyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-[2-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]ethyl]acetamide;N-[3-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]propyl]acetamide has a molecular weight of 2530.22 g/mol, XLogP of 15.33, 43 rotatable bonds, 9 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-methyl-4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]butanamide;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(3-morpholin-4-ylpropyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-[2-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]ethyl]acetamide;N-[3-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]propyl]acetamide is sourced from PubChem (CID 159527237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159527237 — identifiers, structure, computed properties (public domain)
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