7UB
Summary
| Name: | (3'R)-2-[(cyclopropylmethyl)amino]-6-(4-methoxyphenyl)-1'-[(1H-pyrazol-5-yl)methyl]-5,6-dihydro-7H-spiro[pyrido[4,3-d]pyrimidine-8,3'-pyrrolidin]-7-one |
| Formula: | C25 H29 N7 O2 |
| Formal charge: | 0 |
| Formula weight: | 459.543 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3'R)-2-[(cyclopropylmethyl)amino]-6-(4-methoxyphenyl)-1'-[(1H-pyrazol-5-yl)methyl]-5,6-dihydro-7H-spiro[pyrido[4,3-d]pyrimidine-8,3'-pyrrolidin]-7-one |
| OpenEye OEToolkits | 2.0.7 | (8~{R})-2-(cyclopropylmethylamino)-6-(4-methoxyphenyl)-1'-(1~{H}-pyrazol-5-ylmethyl)spiro[5~{H}-pyrido[4,3-d]pyrimidine-8,3'-pyrrolidine]-7-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COc1ccc(cc1)N1Cc2cnc(NCC3CC3)nc2C2(CN(Cc3ccn[NH]3)CC2)C1=O |
| InChI | InChI | 1.03 | InChI=1S/C25H29N7O2/c1-34-21-6-4-20(5-7-21)32-14-18-13-27-24(26-12-17-2-3-17)29-22(18)25(23(32)33)9-11-31(16-25)15-19-8-10-28-30-19/h4-8,10,13,17H,2-3,9,11-12,14-16H2,1H3,(H,28,30)(H,26,27,29)/t25-/m1/s1 |
| InChIKey | InChI | 1.03 | CBHUSCSYQHQLDW-RUZDIDTESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)N2Cc3cnc(NCC4CC4)nc3[C@]5(CCN(Cc6[nH]ncc6)C5)C2=O |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1)N2Cc3cnc(NCC4CC4)nc3[C]5(CCN(Cc6[nH]ncc6)C5)C2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)N2Cc3cnc(nc3[C@@]4(C2=O)CCN(C4)Cc5ccn[nH]5)NCC6CC6 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)N2Cc3cnc(nc3C4(C2=O)CCN(C4)Cc5ccn[nH]5)NCC6CC6 |
