C191H197N37O14S — CID 157391885
2-[3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-3,4-dihydro-2H-chromen-6-yl]-N-cyclopropylacetamide;2-[3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-3,4-dihydro-2H-chromen-6-yl]-N-[3-(dimethylamino)propyl]acetamide;2-[3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-3,4-dihydro-2H-chromen-6-yl]-N-(2-methoxyethyl)acetamide;2-[3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-3,4-dihydro-2H-chromen-6-yl]-N-(2-methylpropyl)acetamide;2-[3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-3,4-dihydro-2H-chromen-6-yl]-N-(pyridin-3-ylmethyl)acetamide;4-[2-[6-[1-(2-methoxyethylamino)ethyl]-3,4-dihydro-2H-chromen-3-yl]-3H-indol-6-yl]pyrimidin-2-amine;4-[2-[6-[1-(2-thiophen-2-ylethylamino)ethyl]-3,4-dihydro-2H-chromen-3-yl]-3H-indol-6-yl]pyrimidin-2-amine (PubChem CID 157391885) has the molecular formula C191H197N37O14S and a molecular weight of 3266.99 g/mol. Its IUPAC name is 2-[3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-3,4-dihydro-2H-chromen-6-yl]-N-cyclopropylacetamide;2-[3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-3,4-dihydro-2H-chromen-6-yl]-N-[3-(dimethylamino)propyl]acetamide;2-[3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-3,4-dihydro-2H-chromen-6-yl]-N-(2-methoxyethyl)acetamide;2-[3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-3,4-dihydro-2H-chromen-6-yl]-N-(2-methylpropyl)acetamide;2-[3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-3,4-dihydro-2H-chromen-6-yl]-N-(pyridin-3-ylmethyl)acetamide;4-[2-[6-[1-(2-methoxyethylamino)ethyl]-3,4-dihydro-2H-chromen-3-yl]-3H-indol-6-yl]pyrimidin-2-amine;4-[2-[6-[1-(2-thiophen-2-ylethylamino)ethyl]-3,4-dihydro-2H-chromen-3-yl]-3H-indol-6-yl]pyrimidin-2-amine.
| Compound Name | 2-[3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-3,4-dihydro-2H-chromen-6-yl]-N-cyclopropylacetamide;2-[3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-3,4-dihydro-2H-chromen-6-yl]-N-[3-(dimethylamino)propyl]acetamide;2-[3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-3,4-dihydro-2H-chromen-6-yl]-N-(2-methoxyethyl)acetamide;2-[3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-3,4-dihydro-2H-chromen-6-yl]-N-(2-methylpropyl)acetamide;2-[3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-3,4-dihydro-2H-chromen-6-yl]-N-(pyridin-3-ylmethyl)acetamide;4-[2-[6-[1-(2-methoxyethylamino)ethyl]-3,4-dihydro-2H-chromen-3-yl]-3H-indol-6-yl]pyrimidin-2-amine;4-[2-[6-[1-(2-thiophen-2-ylethylamino)ethyl]-3,4-dihydro-2H-chromen-3-yl]-3H-indol-6-yl]pyrimidin-2-amine |
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| PubChem CID | 157391885 |
| Molecular Formula | C191H197N37O14S |
| Molecular Weight | 3266.99 g/mol |
| Exact Mass | 3264.56 |
| IUPAC Name | 2-[3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-3,4-dihydro-2H-chromen-6-yl]-N-cyclopropylacetamide;2-[3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-3,4-dihydro-2H-chromen-6-yl]-N-[3-(dimethylamino)propyl]acetamide;2-[3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-3,4-dihydro-2H-chromen-6-yl]-N-(2-methoxyethyl)acetamide;2-[3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-3,4-dihydro-2H-chromen-6-yl]-N-(2-methylpropyl)acetamide;2-[3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-3,4-dihydro-2H-chromen-6-yl]-N-(pyridin-3-ylmethyl)acetamide;4-[2-[6-[1-(2-methoxyethylamino)ethyl]-3,4-dihydro-2H-chromen-3-yl]-3H-indol-6-yl]pyrimidin-2-amine;4-[2-[6-[1-(2-thiophen-2-ylethylamino)ethyl]-3,4-dihydro-2H-chromen-3-yl]-3H-indol-6-yl]pyrimidin-2-amine |
| SMILES | CC(C)CNC(=O)Cc1ccc2c(c1)CC(C1=Nc3cc(-c4ccnc(N)n4)ccc3C1)CO2.CC(NCCc1cccs1)c1ccc2c(c1)CC(C1=Nc3cc(-c4ccnc(N)n4)ccc3C1)CO2.CN(C)CCCNC(=O)Cc1ccc2c(c1)CC(C1=Nc3cc(-c4ccnc(N)n4)ccc3C1)CO2.COCCNC(=O)Cc1ccc2c(c1)CC(C1=Nc3cc(-c4ccnc(N)n4)ccc3C1)CO2.COCCNC(C)c1ccc2c(c1)CC(C1=Nc3cc(-c4ccnc(N)n4)ccc3C1)CO2.Nc1nccc(-c2ccc3c(c2)N=C(C2COc4ccc(CC(=O)NC5CC5)cc4C2)C3)n1.Nc1nccc(-c2ccc3c(c2)N=C(C2COc4ccc(CC(=O)NCc5cccnc5)cc4C2)C3)n1 |
| InChI | InChI=1S/C29H26N6O2.C29H29N5OS.C28H32N6O2.C27H29N5O2.C26H27N5O3.C26H25N5O2.C26H29N5O2/c30-29-32-9-7-24(35-29)20-4-5-21-14-26(34-25(21)13-20)23-12-22-10-18(3-6-27(22)37-17-23)11-28(36)33-16-19-2-1-8-31-15-19;1-18(31-10-8-24-3-2-12-36-24)19-6-7-28-22(13-19)14-23(17-35-28)27-16-21-5-4-20(15-26(21)33-27)25-9-11-32-29(30)34-25;1-34(2)11-3-9-30-27(35)13-18-4-7-26-21(12-18)14-22(17-36-26)25-16-20-6-5-19(15-24(20)32-25)23-8-10-31-28(29)33-23;1-16(2)14-30-26(33)10-17-3-6-25-20(9-17)11-21(15-34-25)24-13-19-5-4-18(12-23(19)31-24)22-7-8-29-27(28)32-22;1-33-9-8-28-25(32)11-16-2-5-24-19(10-16)12-20(15-34-24)23-14-18-4-3-17(13-22(18)30-23)21-6-7-29-26(27)31-21;27-26-28-8-7-21(31-26)16-2-3-17-13-23(30-22(17)12-16)19-11-18-9-15(1-6-24(18)33-14-19)10-25(32)29-20-4-5-20;1-16(28-9-10-32-2)17-5-6-25-20(11-17)12-21(15-33-25)24-14-19-4-3-18(13-23(19)30-24)22-7-8-29-26(27)31-22/h1-10,13,15,23H,11-12,14,16-17H2,(H,33,36)(H2,30,32,35);2-7,9,11-13,15,18,23,31H,8,10,14,16-17H2,1H3,(H2,30,32,34);4-8,10,12,15,22H,3,9,11,13-14,16-17H2,1-2H3,(H,30,35)(H2,29,31,33);3-9,12,16,21H,10-11,13-15H2,1-2H3,(H,30,33)(H2,28,29,32);2-7,10,13,20H,8-9,11-12,14-15H2,1H3,(H,28,32)(H2,27,29,31);1-3,6-9,12,19-20H,4-5,10-11,13-14H2,(H,29,32)(H2,27,28,31);3-8,11,13,16,21,28H,9-10,12,14-15H2,1-2H3,(H2,27,29,31) |
| InChIKey | BMCIPKSNRUGHIM-UHFFFAOYSA-N |
| XLogP | 26.80 |
| TPSA | 717.88 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 47 |
| Rotatable Bonds | 46 |
| Heavy Atoms | 243 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3266.99 |
| LogP ≤ 5 | 26.80 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 47 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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