N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[2-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;methyl 2-[[2-chloro-1-(2-trimethylsilylethoxymethyl)indol-5-yl]methyl]pyridine-4-carboxylate

C58H75Cl2N11O5Si2 — CID 158519270

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[2-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;methyl 2-[[2-chloro-1-(2-trimethylsilylethoxymethyl)indol-5-yl]methyl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(Cc2ccc3c(c2)cc(Cl)n3COCC[Si](C)(C)C)c1.Cc1cc(N)nc(C)c1CN.Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cnc3c(c2)cc(Cl)n3COCC[Si](C)(C)C)c1
InChIInChI=1S/C28H35ClN6O2Si.C22H27ClN2O3Si.C8H13N3/c1-18-10-26(30)34-19(2)24(18)16-33-28(36)21-6-7-31-23(13-21)12-20-11-22-14-25(29)35(27(22)32-15-20)17-37-8-9-38(3,4)5;1-27-22(26)17-7-8-24-19(13-17)12-16-5-6-20-18(11-16)14-21(23)25(20)15-28-9-10-29(2,3)4;1-5-3-8(10)11-6(2)7(5)4-9/h6-7,10-11,13-15H,8-9,12,16-17H2,1-5H3,(H2,30,34)(H,33,36);5-8,11,13-14H,9-10,12,15H2,1-4H3;3H,4,9H2,1-2H3,(H2,10,11)
InChIKeyHMABUDLBLKFOFJ-UHFFFAOYSA-N
MW1133.39 g/mol
LogP11.63
Rot. Bonds19

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[2-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;methyl 2-[[2-chloro-1-(2-trimethylsilylethoxymethyl)indol-5-yl]methyl]pyridine-4-carboxylate

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[2-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;methyl 2-[[2-chloro-1-(2-trimethylsilylethoxymethyl)indol-5-yl]methyl]pyridine-4-carboxylate (PubChem CID 158519270) has the molecular formula C58H75Cl2N11O5Si2 and a molecular weight of 1133.39 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[2-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;methyl 2-[[2-chloro-1-(2-trimethylsilylethoxymethyl)indol-5-yl]methyl]pyridine-4-carboxylate.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[2-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;methyl 2-[[2-chloro-1-(2-trimethylsilylethoxymethyl)indol-5-yl]methyl]pyridine-4-carboxylate
PubChem CID158519270
Molecular FormulaC58H75Cl2N11O5Si2
Molecular Weight1133.39 g/mol
Exact Mass1131.49
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[2-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;methyl 2-[[2-chloro-1-(2-trimethylsilylethoxymethyl)indol-5-yl]methyl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(Cc2ccc3c(c2)cc(Cl)n3COCC[Si](C)(C)C)c1.Cc1cc(N)nc(C)c1CN.Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cnc3c(c2)cc(Cl)n3COCC[Si](C)(C)C)c1
InChIInChI=1S/C28H35ClN6O2Si.C22H27ClN2O3Si.C8H13N3/c1-18-10-26(30)34-19(2)24(18)16-33-28(36)21-6-7-31-23(13-21)12-20-11-22-14-25(29)35(27(22)32-15-20)17-37-8-9-38(3,4)5;1-27-22(26)17-7-8-24-19(13-17)12-16-5-6-20-18(11-16)14-21(23)25(20)15-28-9-10-29(2,3)4;1-5-3-8(10)11-6(2)7(5)4-9/h6-7,10-11,13-15H,8-9,12,16-17H2,1-5H3,(H2,30,34)(H,33,36);5-8,11,13-14H,9-10,12,15H2,1-4H3;3H,4,9H2,1-2H3,(H2,10,11)
InChIKeyHMABUDLBLKFOFJ-UHFFFAOYSA-N
XLogP11.63
TPSA226.23 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds19
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001133.39
LogP ≤ 511.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[2-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;methyl 2-[[2-chloro-1-(2-trimethylsilylethoxymethyl)indol-5-yl]methyl]pyridine-4-carboxylate with MolForge

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Related Compounds

2-[[5-(Chloromethyl)-2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;methane;methyl 2-[[2-methyl-1-(2-trimethylsilylethoxymethyl)indol-5-yl]methyl]pyridine-4-carboxylate;methyl 2-trimethylstannylpyridine-4-carboxylate
CID 157693172
6-(aminomethyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-amine;N-[[1-amino-3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid
CID 161230526
2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;2-[(3-chloroquinolin-6-yl)methyl]-N-[[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]pyridine-4-carboxamide;deuterio(fluoro)methane;[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methanamine
CID 161684150
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[2-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;methane;methyl 2-[[2-chloro-1-(2-trimethylsilylethoxymethyl)indol-5-yl]methyl]pyridine-4-carboxylate
CID 157122465
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxylic acid
CID 157381599
(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methanamine;bis(N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[[8-(2-hydroxypropan-2-yl)-3-methylquinolin-6-yl]methyl]pyridine-4-carboxamide);2-[[8-(2-hydroxypropan-2-yl)-3-methylquinolin-6-yl]methyl]pyridine-4-carboxylic acid
CID 157786704
Lithium;methanol;methyl 2-[[2-methyl-1-(2-trimethylsilylethoxymethyl)indol-5-yl]methyl]pyridine-4-carboxylate;2-[[2-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methyl]pyridine-4-carboxylic acid;hydroxide
CID 157898087
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxylic acid;methane
CID 158051647
(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methanamine;N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxylic acid
CID 158168913
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-b]pyridine-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid;methane
CID 158437422
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]indole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]indole-3-carboxylate;methyl 1H-indole-3-carboxylate
CID 158653095
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-7-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;7-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
CID 158759709

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[2-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;methyl 2-[[2-chloro-1-(2-trimethylsilylethoxymethyl)indol-5-yl]methyl]pyridine-4-carboxylate?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[2-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;methyl 2-[[2-chloro-1-(2-trimethylsilylethoxymethyl)indol-5-yl]methyl]pyridine-4-carboxylate (CID 158519270) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[2-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;methyl 2-[[2-chloro-1-(2-trimethylsilylethoxymethyl)indol-5-yl]methyl]pyridine-4-carboxylate.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[2-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;methyl 2-[[2-chloro-1-(2-trimethylsilylethoxymethyl)indol-5-yl]methyl]pyridine-4-carboxylate?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[2-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;methyl 2-[[2-chloro-1-(2-trimethylsilylethoxymethyl)indol-5-yl]methyl]pyridine-4-carboxylate is COC(=O)c1ccnc(Cc2ccc3c(c2)cc(Cl)n3COCC[Si](C)(C)C)c1.Cc1cc(N)nc(C)c1CN.Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cnc3c(c2)cc(Cl)n3COCC[Si](C)(C)C)c1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[2-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;methyl 2-[[2-chloro-1-(2-trimethylsilylethoxymethyl)indol-5-yl]methyl]pyridine-4-carboxylate?
The InChIKey is HMABUDLBLKFOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35ClN6O2Si.C22H27ClN2O3Si.C8H13N3/c1-18-10-26(30)34-19(2)24(18)16-33-28(36)21-6-7-31-23(13-21)12-20-11-22-14-25(29)35(27(22)32-15-20)17-37-8-9-38(3,4)5;1-27-22(26)17-7-8-24-19(13-17)12-16-5-6-20-18(11-16)14-21(23)25(20)15-28-9-10-29(2,3)4;1-5-3-8(10)11-6(2)7(5)4-9/h6-7,10-11,13-15H,8-9,12,16-17H2,1-5H3,(H2,30,34)(H,33,36);5-8,11,13-14H,9-10,12,15H2,1-4H3;3H,4,9H2,1-2H3,(H2,10,11).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[2-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;methyl 2-[[2-chloro-1-(2-trimethylsilylethoxymethyl)indol-5-yl]methyl]pyridine-4-carboxylate?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[2-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;methyl 2-[[2-chloro-1-(2-trimethylsilylethoxymethyl)indol-5-yl]methyl]pyridine-4-carboxylate has a molecular weight of 1133.39 g/mol, XLogP of 11.63, 19 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[2-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;methyl 2-[[2-chloro-1-(2-trimethylsilylethoxymethyl)indol-5-yl]methyl]pyridine-4-carboxylate is sourced from PubChem (CID 158519270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).