C155H162F3N37O21S — CID 164047970
1-[1-[2-(6-Methyl-1-benzothiophene-2-carbonyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrazin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-4-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-4-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone (PubChem CID 164047970) has the molecular formula C155H162F3N37O21S and a molecular weight of 2968.20 g/mol. Its IUPAC name is 1-[1-[2-(6-methyl-1-benzothiophene-2-carbonyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrazin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-4-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-4-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone.
| Compound Name | 1-[1-[2-(6-Methyl-1-benzothiophene-2-carbonyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrazin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-4-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-4-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone |
|---|---|
| PubChem CID | 164047970 |
| Molecular Formula | C155H162F3N37O21S |
| Molecular Weight | 2968.20 g/mol |
| Exact Mass | 2967.25 |
| IUPAC Name | 1-[1-[2-(6-methyl-1-benzothiophene-2-carbonyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrazin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-4-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-4-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone |
| SMILES | CC1=CC2=C(C=C1)C=C(S2)C(=O)N3CCC4(C3)CCN(CC4)C(=O)N5C=CC(=N5)C(=O)C.CC1=CN=C(C=C1)OC2=CC=CC(=C2)CN3CCN(CC3)C(=O)N4C=CC(=N4)C(=O)C.CC(=O)C1=NN(C=C1)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)OC4=CC=NC=C4.CC(=O)C1=NN(C=C1)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)OC4=NC=NC=C4.CC(=O)C1=NN(C=C1)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)OC4=NC=CC(=C4)C(F)(F)F.CC(=O)C1=NN(C=C1)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)OC4=NC=CN=C4.CC(=O)C1=NN(C=C1)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)OC4=NC=CC=N4 |
| InChI | InChI=1S/C24H26N4O3S.C23H22F3N5O3.C23H25N5O3.C22H23N5O3.3C21H22N6O3/c1-16-3-4-18-14-21(32-20(18)13-16)22(30)27-12-8-24(15-27)6-10-26(11-7-24)23(31)28-9-5-19(25-28)17(2)29;1-16(32)20-6-8-31(28-20)22(33)30-11-9-29(10-12-30)15-17-3-2-4-19(13-17)34-21-14-18(5-7-27-21)23(24,25)26;1-17-6-7-22(24-15-17)31-20-5-3-4-19(14-20)16-26-10-12-27(13-11-26)23(30)28-9-8-21(25-28)18(2)29;1-17(28)21-7-10-27(24-21)22(29)26-13-11-25(12-14-26)16-18-3-2-4-20(15-18)30-19-5-8-23-9-6-19;1-16(28)19-6-9-27(24-19)21(29)26-12-10-25(11-13-26)15-17-4-2-5-18(14-17)30-20-22-7-3-8-23-20;1-16(28)19-5-8-27(24-19)21(29)26-11-9-25(10-12-26)15-17-3-2-4-18(13-17)30-20-14-22-6-7-23-20;1-16(28)19-6-8-27(24-19)21(29)26-11-9-25(10-12-26)14-17-3-2-4-18(13-17)30-20-5-7-22-15-23-20/h3-5,9,13-14H,6-8,10-12,15H2,1-2H3;2-8,13-14H,9-12,15H2,1H3;3-9,14-15H,10-13,16H2,1-2H3;2-10,15H,11-14,16H2,1H3;2-9,14H,10-13,15H2,1H3;2-8,13-14H,9-12,15H2,1H3;2-8,13,15H,9-12,14H2,1H3 |
| InChIKey | VVYRKISGRYNDKL-UHFFFAOYSA-N |
| XLogP | — |
| TPSA | 626.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 47 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 217 |
| Complexity | 4480 |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2968.20 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 47 |