dipotassium;tert-butyl 2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl 3-(2,2-dimethylpropoxy)pyrazole-1-carboxylate;tert-butyl 5-oxo-1H-pyrazole-2-carboxylate;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;2,6-dichloropyridine-3-carboxylic acid;5-(2,2-dimethylpropoxy)-1H-pyrazole;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;[6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]-(1,3-dimethylpyrazol-4-yl)sulfonylmethanone;1,3-dimethylpyrazole-4-sulfonamide;hexadecasulfanyl thiohypochlorite;hydride;methanamine;methyl (E)-3-methoxyprop-2-enoate;oxido formate;sulfane;3,3,3-trifluoro-2,2-dimethylpropanoic acid;3,3,3-trifluoro-2,2-dimethylpropan-1-ol;(4S)-2,2,4-trimethylpyrrolidine;trihydrochloride

C158H240Cl10F6K2N32O36S23 — CID 159159520

IUPACdipotassium;tert-butyl 2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl 3-(2,2-dimethylpropoxy)pyrazole-1-carboxylate;tert-butyl 5-oxo-1H-pyrazole-2-carboxylate;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;2,6-dichloropyridine-3-carboxylic acid;5-(2,2-dimethylpropoxy)-1H-pyrazole;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;[6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]-(1,3-dimethylpyrazol-4-yl)sulfonylmethanone;1,3-dimethylpyrazole-4-sulfonamide;hexadecasulfanyl thiohypochlorite;hydride;methanamine;methyl (E)-3-methoxyprop-2-enoate;oxido formate;sulfane;3,3,3-trifluoro-2,2-dimethylpropanoic acid;3,3,3-trifluoro-2,2-dimethylpropan-1-ol;(4S)-2,2,4-trimethylpyrrolidine;trihydrochloride
SMILESCC(C)(C(=O)O)C(F)(F)F.CC(C)(C)COc1ccn(-c2ccc(C(=O)O)c(Cl)n2)n1.CC(C)(C)COc1ccn(-c2ccc(C(=O)OC(C)(C)C)c(Cl)n2)n1.CC(C)(C)COc1ccn(C(=O)OC(C)(C)C)n1.CC(C)(C)COc1ccn[nH]1.CC(C)(C)OC(=O)c1ccc(Cl)nc1Cl.CC(C)(C)OC(=O)n1ccc(=O)[nH]1.CC(C)(CO)C(F)(F)F.CN.CO/C=C/C(=O)OC.C[C@@H]1CNC(C)(C)C1.Cc1nn(C)cc1S(=O)(=O)C(=O)c1ccc(-n2ccc(OCC(C)(C)C)n2)nc1N1C[C@@H](C)CC1(C)C.Cc1nn(C)cc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCC(C)(C)C)n2)nc1N1C[C@@H](C)CC1(C)C.Cc1nn(C)cc1S(N)(=O)=O.Cl.Cl.Cl.O=C(O)c1ccc(Cl)nc1Cl.O=CO[O-].S.S.S.SSSSSSSSSSSSSSSSSCl.[H-].[K+].[K+]
InChIInChI=1S/C26H37N7O4S.C26H36N6O4S.C18H24ClN3O3.C14H16ClN3O3.C13H22N2O3.C10H11Cl2NO2.C8H12N2O3.C8H14N2O.C7H15N.C6H3Cl2NO2.C5H7F3O2.C5H9F3O.C5H9N3O2S.C5H8O3.CH5N.CH2O3.ClHS17.3ClH.2K.3H2S.H/c1-17-13-26(6,7)32(14-17)23-19(24(34)30-38(35,36)20-15-31(8)28-18(20)2)9-10-21(27-23)33-12-11-22(29-33)37-16-25(3,4)5;1-17-13-26(6,7)31(14-17)23-19(24(33)37(34,35)20-15-30(8)28-18(20)2)9-10-21(27-23)32-12-11-22(29-32)36-16-25(3,4)5;1-17(2,3)11-24-14-9-10-22(21-14)13-8-7-12(15(19)20-13)16(23)25-18(4,5)6;1-14(2,3)8-21-11-6-7-18(17-11)10-5-4-9(13(19)20)12(15)16-10;1-12(2,3)9-17-10-7-8-15(14-10)11(16)18-13(4,5)6;1-10(2,3)15-9(14)6-4-5-7(11)13-8(6)12;1-8(2,3)13-7(12)10-5-4-6(11)9-10;1-8(2,3)6-11-7-4-5-9-10-7;1-6-4-7(2,3)8-5-6;7-4-2-1-3(6(10)11)5(8)9-4;1-4(2,3(9)10)5(6,7)8;1-4(2,3-9)5(6,7)8;1-4-5(11(6,9)10)3-8(2)7-4;1-7-4-3-5(6)8-2;1-2;2-1-4-3;1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;;;;;;;;;/h9-12,15,17H,13-14,16H2,1-8H3,(H,30,34);9-12,15,17H,13-14,16H2,1-8H3;7-10H,11H2,1-6H3;4-7H,8H2,1-3H3,(H,19,20);7-8H,9H2,1-6H3;4-5H,1-3H3;4-5H,1-3H3,(H,9,11);4-5H,6H2,1-3H3,(H,9,10);6,8H,4-5H2,1-3H3;1-2H,(H,10,11);1-2H3,(H,9,10);9H,3H2,1-2H3;3H,1-2H3,(H2,6,9,10);3-4H,1-2H3;2H2,1H3;1,3H;2H;3*1H;;;3*1H2;/q;;;;;;;;;;;;;;;;;;;;2*+1;;;;-1/p-1/b;;;;;;;;;;;;;4-3+;;;;;;;;;;;;/t2*17-;;;;;;;6-;;;;;;;;;;;;;;;;;/m00......0................./s1
InChIKeyMGRHUWLZNFPGQI-OUTCPMOZSA-M
MW4448.10 g/mol
LogP35.60
Rot. Bonds48

About dipotassium;tert-butyl 2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl 3-(2,2-dimethylpropoxy)pyrazole-1-carboxylate;tert-butyl 5-oxo-1H-pyrazole-2-carboxylate;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;2,6-dichloropyridine-3-carboxylic acid;5-(2,2-dimethylpropoxy)-1H-pyrazole;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;[6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]-(1,3-dimethylpyrazol-4-yl)sulfonylmethanone;1,3-dimethylpyrazole-4-sulfonamide;hexadecasulfanyl thiohypochlorite;hydride;methanamine;methyl (E)-3-methoxyprop-2-enoate;oxido formate;sulfane;3,3,3-trifluoro-2,2-dimethylpropanoic acid;3,3,3-trifluoro-2,2-dimethylpropan-1-ol;(4S)-2,2,4-trimethylpyrrolidine;trihydrochloride

dipotassium;tert-butyl 2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl 3-(2,2-dimethylpropoxy)pyrazole-1-carboxylate;tert-butyl 5-oxo-1H-pyrazole-2-carboxylate;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;2,6-dichloropyridine-3-carboxylic acid;5-(2,2-dimethylpropoxy)-1H-pyrazole;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;[6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]-(1,3-dimethylpyrazol-4-yl)sulfonylmethanone;1,3-dimethylpyrazole-4-sulfonamide;hexadecasulfanyl thiohypochlorite;hydride;methanamine;methyl (E)-3-methoxyprop-2-enoate;oxido formate;sulfane;3,3,3-trifluoro-2,2-dimethylpropanoic acid;3,3,3-trifluoro-2,2-dimethylpropan-1-ol;(4S)-2,2,4-trimethylpyrrolidine;trihydrochloride (PubChem CID 159159520) has the molecular formula C158H240Cl10F6K2N32O36S23 and a molecular weight of 4448.10 g/mol. Its IUPAC name is dipotassium;tert-butyl 2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl 3-(2,2-dimethylpropoxy)pyrazole-1-carboxylate;tert-butyl 5-oxo-1H-pyrazole-2-carboxylate;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;2,6-dichloropyridine-3-carboxylic acid;5-(2,2-dimethylpropoxy)-1H-pyrazole;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;[6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]-(1,3-dimethylpyrazol-4-yl)sulfonylmethanone;1,3-dimethylpyrazole-4-sulfonamide;hexadecasulfanyl thiohypochlorite;hydride;methanamine;methyl (E)-3-methoxyprop-2-enoate;oxido formate;sulfane;3,3,3-trifluoro-2,2-dimethylpropanoic acid;3,3,3-trifluoro-2,2-dimethylpropan-1-ol;(4S)-2,2,4-trimethylpyrrolidine;trihydrochloride.

Molecular Properties

Compound Namedipotassium;tert-butyl 2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl 3-(2,2-dimethylpropoxy)pyrazole-1-carboxylate;tert-butyl 5-oxo-1H-pyrazole-2-carboxylate;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;2,6-dichloropyridine-3-carboxylic acid;5-(2,2-dimethylpropoxy)-1H-pyrazole;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;[6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]-(1,3-dimethylpyrazol-4-yl)sulfonylmethanone;1,3-dimethylpyrazole-4-sulfonamide;hexadecasulfanyl thiohypochlorite;hydride;methanamine;methyl (E)-3-methoxyprop-2-enoate;oxido formate;sulfane;3,3,3-trifluoro-2,2-dimethylpropanoic acid;3,3,3-trifluoro-2,2-dimethylpropan-1-ol;(4S)-2,2,4-trimethylpyrrolidine;trihydrochloride
PubChem CID159159520
Molecular FormulaC158H240Cl10F6K2N32O36S23
Molecular Weight4448.10 g/mol
Exact Mass4438.76
IUPAC Namedipotassium;tert-butyl 2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl 3-(2,2-dimethylpropoxy)pyrazole-1-carboxylate;tert-butyl 5-oxo-1H-pyrazole-2-carboxylate;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;2,6-dichloropyridine-3-carboxylic acid;5-(2,2-dimethylpropoxy)-1H-pyrazole;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;[6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]-(1,3-dimethylpyrazol-4-yl)sulfonylmethanone;1,3-dimethylpyrazole-4-sulfonamide;hexadecasulfanyl thiohypochlorite;hydride;methanamine;methyl (E)-3-methoxyprop-2-enoate;oxido formate;sulfane;3,3,3-trifluoro-2,2-dimethylpropanoic acid;3,3,3-trifluoro-2,2-dimethylpropan-1-ol;(4S)-2,2,4-trimethylpyrrolidine;trihydrochloride
SMILESCC(C)(C(=O)O)C(F)(F)F.CC(C)(C)COc1ccn(-c2ccc(C(=O)O)c(Cl)n2)n1.CC(C)(C)COc1ccn(-c2ccc(C(=O)OC(C)(C)C)c(Cl)n2)n1.CC(C)(C)COc1ccn(C(=O)OC(C)(C)C)n1.CC(C)(C)COc1ccn[nH]1.CC(C)(C)OC(=O)c1ccc(Cl)nc1Cl.CC(C)(C)OC(=O)n1ccc(=O)[nH]1.CC(C)(CO)C(F)(F)F.CN.CO/C=C/C(=O)OC.C[C@@H]1CNC(C)(C)C1.Cc1nn(C)cc1S(=O)(=O)C(=O)c1ccc(-n2ccc(OCC(C)(C)C)n2)nc1N1C[C@@H](C)CC1(C)C.Cc1nn(C)cc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCC(C)(C)C)n2)nc1N1C[C@@H](C)CC1(C)C.Cc1nn(C)cc1S(N)(=O)=O.Cl.Cl.Cl.O=C(O)c1ccc(Cl)nc1Cl.O=CO[O-].S.S.S.SSSSSSSSSSSSSSSSSCl.[H-].[K+].[K+]
InChIInChI=1S/C26H37N7O4S.C26H36N6O4S.C18H24ClN3O3.C14H16ClN3O3.C13H22N2O3.C10H11Cl2NO2.C8H12N2O3.C8H14N2O.C7H15N.C6H3Cl2NO2.C5H7F3O2.C5H9F3O.C5H9N3O2S.C5H8O3.CH5N.CH2O3.ClHS17.3ClH.2K.3H2S.H/c1-17-13-26(6,7)32(14-17)23-19(24(34)30-38(35,36)20-15-31(8)28-18(20)2)9-10-21(27-23)33-12-11-22(29-33)37-16-25(3,4)5;1-17-13-26(6,7)31(14-17)23-19(24(33)37(34,35)20-15-30(8)28-18(20)2)9-10-21(27-23)32-12-11-22(29-32)36-16-25(3,4)5;1-17(2,3)11-24-14-9-10-22(21-14)13-8-7-12(15(19)20-13)16(23)25-18(4,5)6;1-14(2,3)8-21-11-6-7-18(17-11)10-5-4-9(13(19)20)12(15)16-10;1-12(2,3)9-17-10-7-8-15(14-10)11(16)18-13(4,5)6;1-10(2,3)15-9(14)6-4-5-7(11)13-8(6)12;1-8(2,3)13-7(12)10-5-4-6(11)9-10;1-8(2,3)6-11-7-4-5-9-10-7;1-6-4-7(2,3)8-5-6;7-4-2-1-3(6(10)11)5(8)9-4;1-4(2,3(9)10)5(6,7)8;1-4(2,3-9)5(6,7)8;1-4-5(11(6,9)10)3-8(2)7-4;1-7-4-3-5(6)8-2;1-2;2-1-4-3;1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;;;;;;;;;/h9-12,15,17H,13-14,16H2,1-8H3,(H,30,34);9-12,15,17H,13-14,16H2,1-8H3;7-10H,11H2,1-6H3;4-7H,8H2,1-3H3,(H,19,20);7-8H,9H2,1-6H3;4-5H,1-3H3;4-5H,1-3H3,(H,9,11);4-5H,6H2,1-3H3,(H,9,10);6,8H,4-5H2,1-3H3;1-2H,(H,10,11);1-2H3,(H,9,10);9H,3H2,1-2H3;3H,1-2H3,(H2,6,9,10);3-4H,1-2H3;2H2,1H3;1,3H;2H;3*1H;;;3*1H2;/q;;;;;;;;;;;;;;;;;;;;2*+1;;;;-1/p-1/b;;;;;;;;;;;;;4-3+;;;;;;;;;;;;/t2*17-;;;;;;;6-;;;;;;;;;;;;;;;;;/m00......0................./s1
InChIKeyMGRHUWLZNFPGQI-OUTCPMOZSA-M
XLogP35.60
TPSA883.11 Ų
H-Bond Donors11
H-Bond Acceptors78
Rotatable Bonds48
Heavy Atoms267
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004448.10
LogP ≤ 535.60
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1078

Analyze dipotassium;tert-butyl 2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl 3-(2,2-dimethylpropoxy)pyrazole-1-carboxylate;tert-butyl 5-oxo-1H-pyrazole-2-carboxylate;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;2,6-dichloropyridine-3-carboxylic acid;5-(2,2-dimethylpropoxy)-1H-pyrazole;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;[6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]-(1,3-dimethylpyrazol-4-yl)sulfonylmethanone;1,3-dimethylpyrazole-4-sulfonamide;hexadecasulfanyl thiohypochlorite;hydride;methanamine;methyl (E)-3-methoxyprop-2-enoate;oxido formate;sulfane;3,3,3-trifluoro-2,2-dimethylpropanoic acid;3,3,3-trifluoro-2,2-dimethylpropan-1-ol;(4S)-2,2,4-trimethylpyrrolidine;trihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of dipotassium;tert-butyl 2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl 3-(2,2-dimethylpropoxy)pyrazole-1-carboxylate;tert-butyl 5-oxo-1H-pyrazole-2-carboxylate;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;2,6-dichloropyridine-3-carboxylic acid;5-(2,2-dimethylpropoxy)-1H-pyrazole;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;[6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]-(1,3-dimethylpyrazol-4-yl)sulfonylmethanone;1,3-dimethylpyrazole-4-sulfonamide;hexadecasulfanyl thiohypochlorite;hydride;methanamine;methyl (E)-3-methoxyprop-2-enoate;oxido formate;sulfane;3,3,3-trifluoro-2,2-dimethylpropanoic acid;3,3,3-trifluoro-2,2-dimethylpropan-1-ol;(4S)-2,2,4-trimethylpyrrolidine;trihydrochloride?
The IUPAC name of dipotassium;tert-butyl 2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl 3-(2,2-dimethylpropoxy)pyrazole-1-carboxylate;tert-butyl 5-oxo-1H-pyrazole-2-carboxylate;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;2,6-dichloropyridine-3-carboxylic acid;5-(2,2-dimethylpropoxy)-1H-pyrazole;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;[6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]-(1,3-dimethylpyrazol-4-yl)sulfonylmethanone;1,3-dimethylpyrazole-4-sulfonamide;hexadecasulfanyl thiohypochlorite;hydride;methanamine;methyl (E)-3-methoxyprop-2-enoate;oxido formate;sulfane;3,3,3-trifluoro-2,2-dimethylpropanoic acid;3,3,3-trifluoro-2,2-dimethylpropan-1-ol;(4S)-2,2,4-trimethylpyrrolidine;trihydrochloride (CID 159159520) is dipotassium;tert-butyl 2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl 3-(2,2-dimethylpropoxy)pyrazole-1-carboxylate;tert-butyl 5-oxo-1H-pyrazole-2-carboxylate;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;2,6-dichloropyridine-3-carboxylic acid;5-(2,2-dimethylpropoxy)-1H-pyrazole;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;[6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]-(1,3-dimethylpyrazol-4-yl)sulfonylmethanone;1,3-dimethylpyrazole-4-sulfonamide;hexadecasulfanyl thiohypochlorite;hydride;methanamine;methyl (E)-3-methoxyprop-2-enoate;oxido formate;sulfane;3,3,3-trifluoro-2,2-dimethylpropanoic acid;3,3,3-trifluoro-2,2-dimethylpropan-1-ol;(4S)-2,2,4-trimethylpyrrolidine;trihydrochloride.
What is the SMILES notation for dipotassium;tert-butyl 2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl 3-(2,2-dimethylpropoxy)pyrazole-1-carboxylate;tert-butyl 5-oxo-1H-pyrazole-2-carboxylate;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;2,6-dichloropyridine-3-carboxylic acid;5-(2,2-dimethylpropoxy)-1H-pyrazole;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;[6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]-(1,3-dimethylpyrazol-4-yl)sulfonylmethanone;1,3-dimethylpyrazole-4-sulfonamide;hexadecasulfanyl thiohypochlorite;hydride;methanamine;methyl (E)-3-methoxyprop-2-enoate;oxido formate;sulfane;3,3,3-trifluoro-2,2-dimethylpropanoic acid;3,3,3-trifluoro-2,2-dimethylpropan-1-ol;(4S)-2,2,4-trimethylpyrrolidine;trihydrochloride?
The canonical SMILES for dipotassium;tert-butyl 2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl 3-(2,2-dimethylpropoxy)pyrazole-1-carboxylate;tert-butyl 5-oxo-1H-pyrazole-2-carboxylate;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;2,6-dichloropyridine-3-carboxylic acid;5-(2,2-dimethylpropoxy)-1H-pyrazole;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;[6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]-(1,3-dimethylpyrazol-4-yl)sulfonylmethanone;1,3-dimethylpyrazole-4-sulfonamide;hexadecasulfanyl thiohypochlorite;hydride;methanamine;methyl (E)-3-methoxyprop-2-enoate;oxido formate;sulfane;3,3,3-trifluoro-2,2-dimethylpropanoic acid;3,3,3-trifluoro-2,2-dimethylpropan-1-ol;(4S)-2,2,4-trimethylpyrrolidine;trihydrochloride is CC(C)(C(=O)O)C(F)(F)F.CC(C)(C)COc1ccn(-c2ccc(C(=O)O)c(Cl)n2)n1.CC(C)(C)COc1ccn(-c2ccc(C(=O)OC(C)(C)C)c(Cl)n2)n1.CC(C)(C)COc1ccn(C(=O)OC(C)(C)C)n1.CC(C)(C)COc1ccn[nH]1.CC(C)(C)OC(=O)c1ccc(Cl)nc1Cl.CC(C)(C)OC(=O)n1ccc(=O)[nH]1.CC(C)(CO)C(F)(F)F.CN.CO/C=C/C(=O)OC.C[C@@H]1CNC(C)(C)C1.Cc1nn(C)cc1S(=O)(=O)C(=O)c1ccc(-n2ccc(OCC(C)(C)C)n2)nc1N1C[C@@H](C)CC1(C)C.Cc1nn(C)cc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCC(C)(C)C)n2)nc1N1C[C@@H](C)CC1(C)C.Cc1nn(C)cc1S(N)(=O)=O.Cl.Cl.Cl.O=C(O)c1ccc(Cl)nc1Cl.O=CO[O-].S.S.S.SSSSSSSSSSSSSSSSSCl.[H-].[K+].[K+].
What is the InChIKey of dipotassium;tert-butyl 2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl 3-(2,2-dimethylpropoxy)pyrazole-1-carboxylate;tert-butyl 5-oxo-1H-pyrazole-2-carboxylate;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;2,6-dichloropyridine-3-carboxylic acid;5-(2,2-dimethylpropoxy)-1H-pyrazole;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;[6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]-(1,3-dimethylpyrazol-4-yl)sulfonylmethanone;1,3-dimethylpyrazole-4-sulfonamide;hexadecasulfanyl thiohypochlorite;hydride;methanamine;methyl (E)-3-methoxyprop-2-enoate;oxido formate;sulfane;3,3,3-trifluoro-2,2-dimethylpropanoic acid;3,3,3-trifluoro-2,2-dimethylpropan-1-ol;(4S)-2,2,4-trimethylpyrrolidine;trihydrochloride?
The InChIKey is MGRHUWLZNFPGQI-OUTCPMOZSA-M. The full InChI is InChI=1S/C26H37N7O4S.C26H36N6O4S.C18H24ClN3O3.C14H16ClN3O3.C13H22N2O3.C10H11Cl2NO2.C8H12N2O3.C8H14N2O.C7H15N.C6H3Cl2NO2.C5H7F3O2.C5H9F3O.C5H9N3O2S.C5H8O3.CH5N.CH2O3.ClHS17.3ClH.2K.3H2S.H/c1-17-13-26(6,7)32(14-17)23-19(24(34)30-38(35,36)20-15-31(8)28-18(20)2)9-10-21(27-23)33-12-11-22(29-33)37-16-25(3,4)5;1-17-13-26(6,7)31(14-17)23-19(24(33)37(34,35)20-15-30(8)28-18(20)2)9-10-21(27-23)32-12-11-22(29-32)36-16-25(3,4)5;1-17(2,3)11-24-14-9-10-22(21-14)13-8-7-12(15(19)20-13)16(23)25-18(4,5)6;1-14(2,3)8-21-11-6-7-18(17-11)10-5-4-9(13(19)20)12(15)16-10;1-12(2,3)9-17-10-7-8-15(14-10)11(16)18-13(4,5)6;1-10(2,3)15-9(14)6-4-5-7(11)13-8(6)12;1-8(2,3)13-7(12)10-5-4-6(11)9-10;1-8(2,3)6-11-7-4-5-9-10-7;1-6-4-7(2,3)8-5-6;7-4-2-1-3(6(10)11)5(8)9-4;1-4(2,3(9)10)5(6,7)8;1-4(2,3-9)5(6,7)8;1-4-5(11(6,9)10)3-8(2)7-4;1-7-4-3-5(6)8-2;1-2;2-1-4-3;1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;;;;;;;;;/h9-12,15,17H,13-14,16H2,1-8H3,(H,30,34);9-12,15,17H,13-14,16H2,1-8H3;7-10H,11H2,1-6H3;4-7H,8H2,1-3H3,(H,19,20);7-8H,9H2,1-6H3;4-5H,1-3H3;4-5H,1-3H3,(H,9,11);4-5H,6H2,1-3H3,(H,9,10);6,8H,4-5H2,1-3H3;1-2H,(H,10,11);1-2H3,(H,9,10);9H,3H2,1-2H3;3H,1-2H3,(H2,6,9,10);3-4H,1-2H3;2H2,1H3;1,3H;2H;3*1H;;;3*1H2;/q;;;;;;;;;;;;;;;;;;;;2*+1;;;;-1/p-1/b;;;;;;;;;;;;;4-3+;;;;;;;;;;;;/t2*17-;;;;;;;6-;;;;;;;;;;;;;;;;;/m00......0................./s1.
What are the key properties of dipotassium;tert-butyl 2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl 3-(2,2-dimethylpropoxy)pyrazole-1-carboxylate;tert-butyl 5-oxo-1H-pyrazole-2-carboxylate;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;2,6-dichloropyridine-3-carboxylic acid;5-(2,2-dimethylpropoxy)-1H-pyrazole;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;[6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]-(1,3-dimethylpyrazol-4-yl)sulfonylmethanone;1,3-dimethylpyrazole-4-sulfonamide;hexadecasulfanyl thiohypochlorite;hydride;methanamine;methyl (E)-3-methoxyprop-2-enoate;oxido formate;sulfane;3,3,3-trifluoro-2,2-dimethylpropanoic acid;3,3,3-trifluoro-2,2-dimethylpropan-1-ol;(4S)-2,2,4-trimethylpyrrolidine;trihydrochloride?
dipotassium;tert-butyl 2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl 3-(2,2-dimethylpropoxy)pyrazole-1-carboxylate;tert-butyl 5-oxo-1H-pyrazole-2-carboxylate;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;2,6-dichloropyridine-3-carboxylic acid;5-(2,2-dimethylpropoxy)-1H-pyrazole;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;[6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]-(1,3-dimethylpyrazol-4-yl)sulfonylmethanone;1,3-dimethylpyrazole-4-sulfonamide;hexadecasulfanyl thiohypochlorite;hydride;methanamine;methyl (E)-3-methoxyprop-2-enoate;oxido formate;sulfane;3,3,3-trifluoro-2,2-dimethylpropanoic acid;3,3,3-trifluoro-2,2-dimethylpropan-1-ol;(4S)-2,2,4-trimethylpyrrolidine;trihydrochloride has a molecular weight of 4448.10 g/mol, XLogP of 35.60, 48 rotatable bonds, 11 hydrogen bond donors, and 78 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;tert-butyl 2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl 3-(2,2-dimethylpropoxy)pyrazole-1-carboxylate;tert-butyl 5-oxo-1H-pyrazole-2-carboxylate;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;2,6-dichloropyridine-3-carboxylic acid;5-(2,2-dimethylpropoxy)-1H-pyrazole;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;[6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]-(1,3-dimethylpyrazol-4-yl)sulfonylmethanone;1,3-dimethylpyrazole-4-sulfonamide;hexadecasulfanyl thiohypochlorite;hydride;methanamine;methyl (E)-3-methoxyprop-2-enoate;oxido formate;sulfane;3,3,3-trifluoro-2,2-dimethylpropanoic acid;3,3,3-trifluoro-2,2-dimethylpropan-1-ol;(4S)-2,2,4-trimethylpyrrolidine;trihydrochloride is sourced from PubChem (CID 159159520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).