(2R)-4-acetyl-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide;2-methylpropyl (3S)-4-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylate;molecular hydrogen;propyl (3S)-4-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylate

C84H98Cl4F12N28O11S — CID 161123417

IUPAC(2R)-4-acetyl-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide;2-methylpropyl (3S)-4-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylate;molecular hydrogen;propyl (3S)-4-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylate
SMILESCC(=O)N1CCN(c2ccnc(-c3c[nH]c4ncc(Cl)cc34)n2)[C@@H](C(=O)NCC(F)(F)F)C1.CC(C)COC(=O)N1CCN(c2ccnc(-c3c[nH]c4ncc(Cl)cc34)n2)[C@H](C(=O)NCC(F)(F)F)C1.CCCOC(=O)N1CCN(c2ccnc(-c3c[nH]c4ncc(Cl)cc34)n2)[C@H](C(=O)NCC(F)(F)F)C1.CS(=O)(=O)N1CCN(c2ccnc(-c3c[nH]c4ncc(Cl)cc34)n2)[C@@H](C(=O)NCC(F)(F)F)C1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C23H25ClF3N7O3.C22H23ClF3N7O3.C20H19ClF3N7O2.C19H19ClF3N7O3S.6H2/c1-13(2)11-37-22(36)33-5-6-34(17(10-33)21(35)31-12-23(25,26)27)18-3-4-28-20(32-18)16-9-30-19-15(16)7-14(24)8-29-19;1-2-7-36-21(35)32-5-6-33(16(11-32)20(34)30-12-22(24,25)26)17-3-4-27-19(31-17)15-10-29-18-14(15)8-13(23)9-28-18;1-11(32)30-4-5-31(15(9-30)19(33)28-10-20(22,23)24)16-2-3-25-18(29-16)14-8-27-17-13(14)6-12(21)7-26-17;1-34(32,33)29-4-5-30(14(9-29)18(31)27-10-19(21,22)23)15-2-3-24-17(28-15)13-8-26-16-12(13)6-11(20)7-25-16;;;;;;/h3-4,7-9,13,17H,5-6,10-12H2,1-2H3,(H,29,30)(H,31,35);3-4,8-10,16H,2,5-7,11-12H2,1H3,(H,28,29)(H,30,34);2-3,6-8,15H,4-5,9-10H2,1H3,(H,26,27)(H,28,33);2-3,6-8,14H,4-5,9-10H2,1H3,(H,25,26)(H,27,31);6*1H/t17-;16-;15-;14-;;;;;;/m0011....../s1
InChIKeyULFZKWNVXMJLMI-SPCRMSTCSA-N
MW2077.75 g/mol
LogP12.69
Rot. Bonds21

About (2R)-4-acetyl-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide;2-methylpropyl (3S)-4-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylate;molecular hydrogen;propyl (3S)-4-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylate

(2R)-4-acetyl-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide;2-methylpropyl (3S)-4-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylate;molecular hydrogen;propyl (3S)-4-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylate (PubChem CID 161123417) has the molecular formula C84H98Cl4F12N28O11S and a molecular weight of 2077.75 g/mol. Its IUPAC name is (2R)-4-acetyl-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide;2-methylpropyl (3S)-4-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylate;molecular hydrogen;propyl (3S)-4-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Name(2R)-4-acetyl-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide;2-methylpropyl (3S)-4-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylate;molecular hydrogen;propyl (3S)-4-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylate
PubChem CID161123417
Molecular FormulaC84H98Cl4F12N28O11S
Molecular Weight2077.75 g/mol
Exact Mass2074.63
IUPAC Name(2R)-4-acetyl-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide;2-methylpropyl (3S)-4-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylate;molecular hydrogen;propyl (3S)-4-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylate
SMILESCC(=O)N1CCN(c2ccnc(-c3c[nH]c4ncc(Cl)cc34)n2)[C@@H](C(=O)NCC(F)(F)F)C1.CC(C)COC(=O)N1CCN(c2ccnc(-c3c[nH]c4ncc(Cl)cc34)n2)[C@H](C(=O)NCC(F)(F)F)C1.CCCOC(=O)N1CCN(c2ccnc(-c3c[nH]c4ncc(Cl)cc34)n2)[C@H](C(=O)NCC(F)(F)F)C1.CS(=O)(=O)N1CCN(c2ccnc(-c3c[nH]c4ncc(Cl)cc34)n2)[C@@H](C(=O)NCC(F)(F)F)C1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C23H25ClF3N7O3.C22H23ClF3N7O3.C20H19ClF3N7O2.C19H19ClF3N7O3S.6H2/c1-13(2)11-37-22(36)33-5-6-34(17(10-33)21(35)31-12-23(25,26)27)18-3-4-28-20(32-18)16-9-30-19-15(16)7-14(24)8-29-19;1-2-7-36-21(35)32-5-6-33(16(11-32)20(34)30-12-22(24,25)26)17-3-4-27-19(31-17)15-10-29-18-14(15)8-13(23)9-28-18;1-11(32)30-4-5-31(15(9-30)19(33)28-10-20(22,23)24)16-2-3-25-18(29-16)14-8-27-17-13(14)6-12(21)7-26-17;1-34(32,33)29-4-5-30(14(9-29)18(31)27-10-19(21,22)23)15-2-3-24-17(28-15)13-8-26-16-12(13)6-11(20)7-25-16;;;;;;/h3-4,7-9,13,17H,5-6,10-12H2,1-2H3,(H,29,30)(H,31,35);3-4,8-10,16H,2,5-7,11-12H2,1H3,(H,28,29)(H,30,34);2-3,6-8,15H,4-5,9-10H2,1H3,(H,26,27)(H,28,33);2-3,6-8,14H,4-5,9-10H2,1H3,(H,25,26)(H,27,31);6*1H/t17-;16-;15-;14-;;;;;;/m0011....../s1
InChIKeyULFZKWNVXMJLMI-SPCRMSTCSA-N
XLogP12.69
TPSA463.97 Ų
H-Bond Donors8
H-Bond Acceptors27
Rotatable Bonds21
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002077.75
LogP ≤ 512.69
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1027

Analyze (2R)-4-acetyl-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide;2-methylpropyl (3S)-4-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylate;molecular hydrogen;propyl (3S)-4-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylate with MolForge

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Related Compounds

methyl (3S)-4-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylate
CID 24885885
propan-2-yl (3S)-4-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylate
CID 24885886
(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
CID 24886359
propyl (3S)-4-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylate
CID 24886360
2-methylpropyl (3S)-4-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylate
CID 24886361
(2S)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
CID 24886363
butyl (3S)-4-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylate
CID 59422124
3-methylbutyl (3R)-4-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylate
CID 59422160
2-methylpropyl (3R)-4-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylate
CID 59422201
propan-2-yl (3R)-4-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylate
CID 59422287
(2R)-4-butylsulfonyl-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
CID 59422295
propyl (3R)-4-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylate
CID 59422340

Frequently Asked Questions

What is the IUPAC name of (2R)-4-acetyl-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide;2-methylpropyl (3S)-4-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylate;molecular hydrogen;propyl (3S)-4-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylate?
The IUPAC name of (2R)-4-acetyl-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide;2-methylpropyl (3S)-4-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylate;molecular hydrogen;propyl (3S)-4-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylate (CID 161123417) is (2R)-4-acetyl-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide;2-methylpropyl (3S)-4-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylate;molecular hydrogen;propyl (3S)-4-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylate.
What is the SMILES notation for (2R)-4-acetyl-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide;2-methylpropyl (3S)-4-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylate;molecular hydrogen;propyl (3S)-4-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylate?
The canonical SMILES for (2R)-4-acetyl-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide;2-methylpropyl (3S)-4-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylate;molecular hydrogen;propyl (3S)-4-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylate is CC(=O)N1CCN(c2ccnc(-c3c[nH]c4ncc(Cl)cc34)n2)[C@@H](C(=O)NCC(F)(F)F)C1.CC(C)COC(=O)N1CCN(c2ccnc(-c3c[nH]c4ncc(Cl)cc34)n2)[C@H](C(=O)NCC(F)(F)F)C1.CCCOC(=O)N1CCN(c2ccnc(-c3c[nH]c4ncc(Cl)cc34)n2)[C@H](C(=O)NCC(F)(F)F)C1.CS(=O)(=O)N1CCN(c2ccnc(-c3c[nH]c4ncc(Cl)cc34)n2)[C@@H](C(=O)NCC(F)(F)F)C1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of (2R)-4-acetyl-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide;2-methylpropyl (3S)-4-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylate;molecular hydrogen;propyl (3S)-4-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylate?
The InChIKey is ULFZKWNVXMJLMI-SPCRMSTCSA-N. The full InChI is InChI=1S/C23H25ClF3N7O3.C22H23ClF3N7O3.C20H19ClF3N7O2.C19H19ClF3N7O3S.6H2/c1-13(2)11-37-22(36)33-5-6-34(17(10-33)21(35)31-12-23(25,26)27)18-3-4-28-20(32-18)16-9-30-19-15(16)7-14(24)8-29-19;1-2-7-36-21(35)32-5-6-33(16(11-32)20(34)30-12-22(24,25)26)17-3-4-27-19(31-17)15-10-29-18-14(15)8-13(23)9-28-18;1-11(32)30-4-5-31(15(9-30)19(33)28-10-20(22,23)24)16-2-3-25-18(29-16)14-8-27-17-13(14)6-12(21)7-26-17;1-34(32,33)29-4-5-30(14(9-29)18(31)27-10-19(21,22)23)15-2-3-24-17(28-15)13-8-26-16-12(13)6-11(20)7-25-16;;;;;;/h3-4,7-9,13,17H,5-6,10-12H2,1-2H3,(H,29,30)(H,31,35);3-4,8-10,16H,2,5-7,11-12H2,1H3,(H,28,29)(H,30,34);2-3,6-8,15H,4-5,9-10H2,1H3,(H,26,27)(H,28,33);2-3,6-8,14H,4-5,9-10H2,1H3,(H,25,26)(H,27,31);6*1H/t17-;16-;15-;14-;;;;;;/m0011....../s1.
What are the key properties of (2R)-4-acetyl-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide;2-methylpropyl (3S)-4-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylate;molecular hydrogen;propyl (3S)-4-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylate?
(2R)-4-acetyl-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide;2-methylpropyl (3S)-4-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylate;molecular hydrogen;propyl (3S)-4-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylate has a molecular weight of 2077.75 g/mol, XLogP of 12.69, 21 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-acetyl-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide;2-methylpropyl (3S)-4-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylate;molecular hydrogen;propyl (3S)-4-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylate is sourced from PubChem (CID 161123417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).