About sodium;N-[4-[3-(2-chloro-5-formylphenyl)-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyrazol-1-yl]-5-methylpyridin-2-amine;N-[4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;cyclopentane;methyl carbonochloridate;methyl N-[4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]carbamate;methyl N-[4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyrazol-1-yl]-5-methyl-2-pyridinyl]carbamate;hydroxide
sodium;N-[4-[3-(2-chloro-5-formylphenyl)-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyrazol-1-yl]-5-methylpyridin-2-amine;N-[4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;cyclopentane;methyl carbonochloridate;methyl N-[4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]carbamate;methyl N-[4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyrazol-1-yl]-5-methyl-2-pyridinyl]carbamate;hydroxide (PubChem CID 160716494) has the molecular formula C145H184Cl6N39NaO14Si4
and a molecular weight of 3045.38 g/mol. Its IUPAC name is sodium;N-[4-[3-(2-chloro-5-formylphenyl)-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyrazol-1-yl]-5-methylpyridin-2-amine;N-[4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;cyclopentane;methyl carbonochloridate;methyl N-[4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]carbamate;methyl N-[4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyrazol-1-yl]-5-methyl-2-pyridinyl]carbamate;hydroxide.
Frequently Asked Questions
What is the IUPAC name of sodium;N-[4-[3-(2-chloro-5-formylphenyl)-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyrazol-1-yl]-5-methylpyridin-2-amine;N-[4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;cyclopentane;methyl carbonochloridate;methyl N-[4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]carbamate;methyl N-[4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyrazol-1-yl]-5-methyl-2-pyridinyl]carbamate;hydroxide?
The IUPAC name of sodium;N-[4-[3-(2-chloro-5-formylphenyl)-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyrazol-1-yl]-5-methylpyridin-2-amine;N-[4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;cyclopentane;methyl carbonochloridate;methyl N-[4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]carbamate;methyl N-[4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyrazol-1-yl]-5-methyl-2-pyridinyl]carbamate;hydroxide (CID 160716494) is sodium;N-[4-[3-(2-chloro-5-formylphenyl)-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyrazol-1-yl]-5-methylpyridin-2-amine;N-[4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;cyclopentane;methyl carbonochloridate;methyl N-[4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]carbamate;methyl N-[4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyrazol-1-yl]-5-methyl-2-pyridinyl]carbamate;hydroxide.
What is the SMILES notation for sodium;N-[4-[3-(2-chloro-5-formylphenyl)-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyrazol-1-yl]-5-methylpyridin-2-amine;N-[4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;cyclopentane;methyl carbonochloridate;methyl N-[4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]carbamate;methyl N-[4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyrazol-1-yl]-5-methyl-2-pyridinyl]carbamate;hydroxide?
The canonical SMILES for sodium;N-[4-[3-(2-chloro-5-formylphenyl)-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyrazol-1-yl]-5-methylpyridin-2-amine;N-[4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;cyclopentane;methyl carbonochloridate;methyl N-[4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]carbamate;methyl N-[4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyrazol-1-yl]-5-methyl-2-pyridinyl]carbamate;hydroxide is C1CCCC1.CC(=O)Nc1cc(-n2cc(-c3ncn(COCC[Si](C)(C)C)n3)c(-c3cc(C=O)ccc3Cl)n2)c(C)cn1.CC(=O)Nc1cc(-n2cc(-c3ncn(COCC[Si](C)(C)C)n3)c(-c3cc(CN4CCCC4)ccc3Cl)n2)c(C)cn1.COC(=O)Cl.COC(=O)Nc1cc(-n2cc(-c3ncn(COCC[Si](C)(C)C)n3)c(-c3cc(CN4CCCC4)ccc3Cl)n2)c(C)cn1.COC(=O)Nc1cc(-n2cc(-c3ncn[nH]3)c(-c3cc(CN4CCCC4)ccc3Cl)n2)c(C)cn1.Cc1cnc(N)cc1-n1cc(-c2ncn(COCC[Si](C)(C)C)n2)c(-c2cc(CN3CCCC3)ccc2Cl)n1.[Na+].[OH-].
What is the InChIKey of sodium;N-[4-[3-(2-chloro-5-formylphenyl)-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyrazol-1-yl]-5-methylpyridin-2-amine;N-[4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;cyclopentane;methyl carbonochloridate;methyl N-[4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]carbamate;methyl N-[4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyrazol-1-yl]-5-methyl-2-pyridinyl]carbamate;hydroxide?
The InChIKey is RSNQTIYGQJSUSU-UHFFFAOYSA-M. The full InChI is InChI=1S/C30H39ClN8O3Si.C30H39ClN8O2Si.C28H37ClN8OSi.C26H30ClN7O3Si.C24H25ClN8O2.C5H10.C2H3ClO2.Na.H2O/c1-21-16-32-27(34-30(40)41-2)15-26(21)39-18-24(29-33-19-38(36-29)20-42-12-13-43(3,4)5)28(35-39)23-14-22(8-9-25(23)31)17-37-10-6-7-11-37;1-21-16-32-28(34-22(2)40)15-27(21)39-18-25(30-33-19-38(36-30)20-41-12-13-42(3,4)5)29(35-39)24-14-23(8-9-26(24)31)17-37-10-6-7-11-37;1-20-15-31-26(30)14-25(20)37-17-23(28-32-18-36(34-28)19-38-11-12-39(2,3)4)27(33-37)22-13-21(7-8-24(22)29)16-35-9-5-6-10-35;1-17-12-28-24(30-18(2)36)11-23(17)34-13-21(25(31-34)20-10-19(14-35)6-7-22(20)27)26-29-15-33(32-26)16-37-8-9-38(3,4)5;1-15-11-26-21(29-24(34)35-2)10-20(15)33-13-18(23-27-14-28-30-23)22(31-33)17-9-16(5-6-19(17)25)12-32-7-3-4-8-32;1-2-4-5-3-1;1-5-2(3)4;;/h8-9,14-16,18-19H,6-7,10-13,17,20H2,1-5H3,(H,32,34,40);8-9,14-16,18-19H,6-7,10-13,17,20H2,1-5H3,(H,32,34,40);7-8,13-15,17-18H,5-6,9-12,16,19H2,1-4H3,(H2,30,31);6-7,10-15H,8-9,16H2,1-5H3,(H,28,30,36);5-6,9-11,13-14H,3-4,7-8,12H2,1-2H3,(H,26,29,34)(H,27,28,30);1-5H2;1H3;;1H2/q;;;;;;;+1;/p-1.
What are the key properties of sodium;N-[4-[3-(2-chloro-5-formylphenyl)-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyrazol-1-yl]-5-methylpyridin-2-amine;N-[4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;cyclopentane;methyl carbonochloridate;methyl N-[4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]carbamate;methyl N-[4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyrazol-1-yl]-5-methyl-2-pyridinyl]carbamate;hydroxide?
sodium;N-[4-[3-(2-chloro-5-formylphenyl)-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyrazol-1-yl]-5-methylpyridin-2-amine;N-[4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;cyclopentane;methyl carbonochloridate;methyl N-[4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]carbamate;methyl N-[4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyrazol-1-yl]-5-methyl-2-pyridinyl]carbamate;hydroxide has a molecular weight of 3045.38 g/mol, XLogP of 27.37, 48 rotatable bonds, 6 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;N-[4-[3-(2-chloro-5-formylphenyl)-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyrazol-1-yl]-5-methylpyridin-2-amine;N-[4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;cyclopentane;methyl carbonochloridate;methyl N-[4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]carbamate;methyl N-[4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyrazol-1-yl]-5-methyl-2-pyridinyl]carbamate;hydroxide is sourced from PubChem (CID 160716494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).