About bis(trans-propan-2-yl (1S,3S)-3-[[2-chloro-6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylate);trans-propan-2-yl (1S,3S)-3-[[2-cyano-6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-fluoro-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-methoxy-3-pyridinyl]oxy]cyclohexane-1-carboxylate
bis(trans-propan-2-yl (1S,3S)-3-[[2-chloro-6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylate);trans-propan-2-yl (1S,3S)-3-[[2-cyano-6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-fluoro-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-methoxy-3-pyridinyl]oxy]cyclohexane-1-carboxylate (PubChem CID 163982123) has the molecular formula C137H188Cl2FN21O26
and a molecular weight of 2635.04 g/mol. Its IUPAC name is bis(trans-propan-2-yl (1S,3S)-3-[[2-chloro-6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylate);trans-propan-2-yl (1S,3S)-3-[[2-cyano-6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-fluoro-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-methoxy-3-pyridinyl]oxy]cyclohexane-1-carboxylate.
Frequently Asked Questions
What is the IUPAC name of bis(trans-propan-2-yl (1S,3S)-3-[[2-chloro-6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylate);trans-propan-2-yl (1S,3S)-3-[[2-cyano-6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-fluoro-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-methoxy-3-pyridinyl]oxy]cyclohexane-1-carboxylate?
The IUPAC name of bis(trans-propan-2-yl (1S,3S)-3-[[2-chloro-6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylate);trans-propan-2-yl (1S,3S)-3-[[2-cyano-6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-fluoro-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-methoxy-3-pyridinyl]oxy]cyclohexane-1-carboxylate (CID 163982123) is bis(trans-propan-2-yl (1S,3S)-3-[[2-chloro-6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylate);trans-propan-2-yl (1S,3S)-3-[[2-cyano-6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-fluoro-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-methoxy-3-pyridinyl]oxy]cyclohexane-1-carboxylate.
What is the SMILES notation for bis(trans-propan-2-yl (1S,3S)-3-[[2-chloro-6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylate);trans-propan-2-yl (1S,3S)-3-[[2-cyano-6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-fluoro-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-methoxy-3-pyridinyl]oxy]cyclohexane-1-carboxylate?
The canonical SMILES for bis(trans-propan-2-yl (1S,3S)-3-[[2-chloro-6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylate);trans-propan-2-yl (1S,3S)-3-[[2-cyano-6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-fluoro-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-methoxy-3-pyridinyl]oxy]cyclohexane-1-carboxylate is CC(C)OC(=O)[C@H]1CCC[C@H](Oc2ccc(-c3cnn(C)c3COC(=O)N(C)C3CCCC3)nc2C#N)C1.CC(C)OC(=O)[C@H]1CCC[C@H](Oc2ccc(-c3cnn(C)c3COC(=O)N(C)C3CCCC3)nc2Cl)C1.CC(C)OC(=O)[C@H]1CCC[C@H](Oc2ccc(-c3cnn(C)c3COC(=O)N(C)C3CCCC3)nc2Cl)C1.CC(C)OC(=O)[C@H]1CCC[C@H](Oc2ccc(-c3cnn(C)c3COC(=O)N(C)C3CCCC3)nc2F)C1.COc1nc(-c2cnn(C)c2COC(=O)N(C)C2CCCC2)ccc1O[C@H]1CCC[C@H](C(=O)OC(C)C)C1.
What is the InChIKey of bis(trans-propan-2-yl (1S,3S)-3-[[2-chloro-6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylate);trans-propan-2-yl (1S,3S)-3-[[2-cyano-6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-fluoro-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-methoxy-3-pyridinyl]oxy]cyclohexane-1-carboxylate?
The InChIKey is SZHYMJLMBRZZGT-OSYVXNPSSA-N. The full InChI is InChI=1S/C28H37N5O5.C28H40N4O6.2C27H37ClN4O5.C27H37FN4O5/c1-18(2)37-27(34)19-8-7-11-21(14-19)38-26-13-12-23(31-24(26)15-29)22-16-30-33(4)25(22)17-36-28(35)32(3)20-9-5-6-10-20;1-18(2)37-27(33)19-9-8-12-21(15-19)38-25-14-13-23(30-26(25)35-5)22-16-29-32(4)24(22)17-36-28(34)31(3)20-10-6-7-11-20;3*1-17(2)36-26(33)18-8-7-11-20(14-18)37-24-13-12-22(30-25(24)28)21-15-29-32(4)23(21)16-35-27(34)31(3)19-9-5-6-10-19/h12-13,16,18-21H,5-11,14,17H2,1-4H3;13-14,16,18-21H,6-12,15,17H2,1-5H3;3*12-13,15,17-20H,5-11,14,16H2,1-4H3/t2*19-,21-;3*18-,20-/m00000/s1.
What are the key properties of bis(trans-propan-2-yl (1S,3S)-3-[[2-chloro-6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylate);trans-propan-2-yl (1S,3S)-3-[[2-cyano-6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-fluoro-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-methoxy-3-pyridinyl]oxy]cyclohexane-1-carboxylate?
bis(trans-propan-2-yl (1S,3S)-3-[[2-chloro-6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylate);trans-propan-2-yl (1S,3S)-3-[[2-cyano-6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-fluoro-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-methoxy-3-pyridinyl]oxy]cyclohexane-1-carboxylate has a molecular weight of 2635.04 g/mol, XLogP of 25.74, 41 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trans-propan-2-yl (1S,3S)-3-[[2-chloro-6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylate);trans-propan-2-yl (1S,3S)-3-[[2-cyano-6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-fluoro-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-methoxy-3-pyridinyl]oxy]cyclohexane-1-carboxylate is sourced from PubChem (CID 163982123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).