C106H187F7N30O14 — CID 157054312
cyclopropyl N-propan-2-ylcarbamate;1-(2,2-difluorocyclopropyl)-3-propan-2-ylurea;3,3-difluoro-N-propan-2-ylpiperidine-1-carboxamide;(2-fluoro-2-methylcyclopropyl) N-propan-2-ylcarbamate;3-fluoro-3-methyl-N-propan-2-ylpyrrolidine-1-carboxamide;1-[(3-fluoro-2-pyridinyl)methyl]-3-propan-2-ylurea;1-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-propan-2-ylurea;1-[(4-methylpyrimidin-2-yl)methyl]-3-propan-2-ylurea;1-[(1-methyl-1,2,4-triazol-3-yl)methyl]-3-propan-2-ylurea;N-propan-2-yl-2-azabicyclo[2.2.1]heptane-2-carboxamide;N-propan-2-yl-5-azaspiro[2.4]heptane-5-carboxamide;N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 157054312) has the molecular formula C106H187F7N30O14 and a molecular weight of 2238.84 g/mol. Its IUPAC name is cyclopropyl N-propan-2-ylcarbamate;1-(2,2-difluorocyclopropyl)-3-propan-2-ylurea;3,3-difluoro-N-propan-2-ylpiperidine-1-carboxamide;(2-fluoro-2-methylcyclopropyl) N-propan-2-ylcarbamate;3-fluoro-3-methyl-N-propan-2-ylpyrrolidine-1-carboxamide;1-[(3-fluoro-2-pyridinyl)methyl]-3-propan-2-ylurea;1-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-propan-2-ylurea;1-[(4-methylpyrimidin-2-yl)methyl]-3-propan-2-ylurea;1-[(1-methyl-1,2,4-triazol-3-yl)methyl]-3-propan-2-ylurea;N-propan-2-yl-2-azabicyclo[2.2.1]heptane-2-carboxamide;N-propan-2-yl-5-azaspiro[2.4]heptane-5-carboxamide;N-propan-2-ylpiperidine-1-carboxamide.
| Compound Name | cyclopropyl N-propan-2-ylcarbamate;1-(2,2-difluorocyclopropyl)-3-propan-2-ylurea;3,3-difluoro-N-propan-2-ylpiperidine-1-carboxamide;(2-fluoro-2-methylcyclopropyl) N-propan-2-ylcarbamate;3-fluoro-3-methyl-N-propan-2-ylpyrrolidine-1-carboxamide;1-[(3-fluoro-2-pyridinyl)methyl]-3-propan-2-ylurea;1-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-propan-2-ylurea;1-[(4-methylpyrimidin-2-yl)methyl]-3-propan-2-ylurea;1-[(1-methyl-1,2,4-triazol-3-yl)methyl]-3-propan-2-ylurea;N-propan-2-yl-2-azabicyclo[2.2.1]heptane-2-carboxamide;N-propan-2-yl-5-azaspiro[2.4]heptane-5-carboxamide;N-propan-2-ylpiperidine-1-carboxamide |
|---|---|
| PubChem CID | 157054312 |
| Molecular Formula | C106H187F7N30O14 |
| Molecular Weight | 2238.84 g/mol |
| Exact Mass | 2237.47 |
| IUPAC Name | cyclopropyl N-propan-2-ylcarbamate;1-(2,2-difluorocyclopropyl)-3-propan-2-ylurea;3,3-difluoro-N-propan-2-ylpiperidine-1-carboxamide;(2-fluoro-2-methylcyclopropyl) N-propan-2-ylcarbamate;3-fluoro-3-methyl-N-propan-2-ylpyrrolidine-1-carboxamide;1-[(3-fluoro-2-pyridinyl)methyl]-3-propan-2-ylurea;1-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-propan-2-ylurea;1-[(4-methylpyrimidin-2-yl)methyl]-3-propan-2-ylurea;1-[(1-methyl-1,2,4-triazol-3-yl)methyl]-3-propan-2-ylurea;N-propan-2-yl-2-azabicyclo[2.2.1]heptane-2-carboxamide;N-propan-2-yl-5-azaspiro[2.4]heptane-5-carboxamide;N-propan-2-ylpiperidine-1-carboxamide |
| SMILES | CC(C)NC(=O)N1CC2CCC1C2.CC(C)NC(=O)N1CCC(C)(F)C1.CC(C)NC(=O)N1CCC2(CC2)C1.CC(C)NC(=O)N1CCCC(F)(F)C1.CC(C)NC(=O)N1CCCCC1.CC(C)NC(=O)NC1CC1(F)F.CC(C)NC(=O)NCc1ncccc1F.CC(C)NC(=O)NCc1ncn(C)n1.CC(C)NC(=O)OC1CC1.CC(C)NC(=O)OC1CC1(C)F.Cc1cc(CNC(=O)NC(C)C)n[nH]1.Cc1ccnc(CNC(=O)NC(C)C)n1 |
| InChI | InChI=1S/C10H14FN3O.C10H16N4O.2C10H18N2O.C9H16F2N2O.C9H17FN2O.C9H16N4O.C9H18N2O.C8H14FNO2.C8H15N5O.C7H12F2N2O.C7H13NO2/c1-7(2)14-10(15)13-6-9-8(11)4-3-5-12-9;1-7(2)13-10(15)12-6-9-11-5-4-8(3)14-9;1-7(2)11-10(13)12-6-8-3-4-9(12)5-8;1-8(2)11-9(13)12-6-5-10(7-12)3-4-10;1-7(2)12-8(14)13-5-3-4-9(10,11)6-13;1-7(2)11-8(13)12-5-4-9(3,10)6-12;1-6(2)11-9(14)10-5-8-4-7(3)12-13-8;1-8(2)10-9(12)11-6-4-3-5-7-11;1-5(2)10-7(11)12-6-4-8(6,3)9;1-6(2)11-8(14)9-4-7-10-5-13(3)12-7;1-4(2)10-6(12)11-5-3-7(5,8)9;1-5(2)8-7(9)10-6-3-4-6/h3-5,7H,6H2,1-2H3,(H2,13,14,15);4-5,7H,6H2,1-3H3,(H2,12,13,15);7-9H,3-6H2,1-2H3,(H,11,13);8H,3-7H2,1-2H3,(H,11,13);7H,3-6H2,1-2H3,(H,12,14);7H,4-6H2,1-3H3,(H,11,13);4,6H,5H2,1-3H3,(H,12,13)(H2,10,11,14);8H,3-7H2,1-2H3,(H,10,12);5-6H,4H2,1-3H3,(H,10,11);5-6H,4H2,1-3H3,(H2,9,11,14);4-5H,3H2,1-2H3,(H2,10,11,12);5-6H,3-4H2,1-2H3,(H,8,9) |
| InChIKey | AAOLQYYGWJAVPY-UHFFFAOYSA-N |
| XLogP | 15.52 |
| TPSA | 542.07 Ų |
| H-Bond Donors | 18 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 157 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2238.84 |
| LogP ≤ 5 | 15.52 |
| H-Bond Donors ≤ 5 | 18 |
| H-Bond Acceptors ≤ 10 | 21 |