Carbanide;ethyl 7-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate;7-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide;7-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile;(7S)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile;(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile;7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide;tungsten
C131H142N47O12S3W3-3 — CID 159568597
Data last refreshed: (MolForge compound catalog, from PubChem)
About Carbanide;ethyl 7-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate;7-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide;7-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile;(7S)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile;(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile;7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide;tungsten
Carbanide;ethyl 7-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate;7-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide;7-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile;(7S)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile;(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile;7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide;tungsten (PubChem CID 159568597) has the molecular formula C131H142N47O12S3W3-3 and a molecular weight of 3214.61 g/mol. Its IUPAC name is carbanide;ethyl 7-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate;7-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide;7-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile;(7S)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile;(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile;7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide;tungsten.
Molecular Properties
| Compound Name | Carbanide;ethyl 7-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate;7-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide;7-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile;(7S)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile;(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile;7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide;tungsten |
|---|---|
| PubChem CID | 159568597 |
| Molecular Formula | C131H142N47O12S3W3-3 |
| Molecular Weight | 3214.61 g/mol |
| Exact Mass | 3212.97 |
| IUPAC Name | carbanide;ethyl 7-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate;7-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide;7-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile;(7S)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile;(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile;7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide;tungsten |
| SMILES | CCOC(=O)c1cn2c(n1)CC(N(C)c1ncnc3c1ccn3S(=O)(=O)c1ccc(C)cc1)CC2.CN(c1ncnc2[nH]ccc12)C1CCn2cc(C#N)nc2C1.CN(c1ncnc2[nH]ccc12)C1CCn2cc(C(N)=O)nc2C1.CN(c1ncnc2[nH]ccc12)[C@@H]1CCn2cc(C#N)nc2C1.CN(c1ncnc2[nH]ccc12)[C@H]1CCn2cc(C#N)nc2C1.Cc1ccc(S(=O)(=O)n2ccc3c(N(C)C4CCn5cc(C(=O)O)nc5C4)ncnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N(C)C4CCn5cc(C(N)=O)nc5C4)ncnc32)cc1.[CH3-].[CH3-].[CH3-].[W].[W].[W] |
| InChI | InChI=1S/C24H26N6O4S.C22H23N7O3S.C22H22N6O4S.C15H17N7O.3C15H15N7.3CH3.3W/c1-4-34-24(31)20-14-29-11-9-17(13-21(29)27-20)28(3)22-19-10-12-30(23(19)26-15-25-22)35(32,33)18-7-5-16(2)6-8-18;1-14-3-5-16(6-4-14)33(31,32)29-10-8-17-21(24-13-25-22(17)29)27(2)15-7-9-28-12-18(20(23)30)26-19(28)11-15;1-14-3-5-16(6-4-14)33(31,32)28-10-8-17-20(23-13-24-21(17)28)26(2)15-7-9-27-12-18(22(29)30)25-19(27)11-15;1-21(15-10-2-4-17-14(10)18-8-19-15)9-3-5-22-7-11(13(16)23)20-12(22)6-9;3*1-21(15-12-2-4-17-14(12)18-9-19-15)11-3-5-22-8-10(7-16)20-13(22)6-11;;;;;;/h5-8,10,12,14-15,17H,4,9,11,13H2,1-3H3;3-6,8,10,12-13,15H,7,9,11H2,1-2H3,(H2,23,30);3-6,8,10,12-13,15H,7,9,11H2,1-2H3,(H,29,30);2,4,7-9H,3,5-6H2,1H3,(H2,16,23)(H,17,18,19);3*2,4,8-9,11H,3,5-6H2,1H3,(H,17,18,19);3*1H3;;;/q;;;;;;;3*-1;;;/t;;;;2*11-;;;;;;;/m....10......./s1 |
| InChIKey | QLBNNZLIFXQOLD-SVRWVSIDSA-N |
| XLogP | 13.33 |
| TPSA | 729.40 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 52 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 196 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3214.61 |
| LogP ≤ 5 | 13.33 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 52 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
|---|
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Sources
- PubChem CID 159568597 — identifiers, structure, computed properties (public domain)
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