N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-cyano-1-[(8-cyano-3-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide;2-(chloromethoxy)ethyl-trimethylsilane;ethyl 5-iodo-1H-pyrazole-4-carboxylate;ethyl 3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;methane

C51H73ClI2N12O7Si2 — CID 159099009

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-cyano-1-[(8-cyano-3-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide;2-(chloromethoxy)ethyl-trimethylsilane;ethyl 5-iodo-1H-pyrazole-4-carboxylate;ethyl 3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;methane
SMILESC.C.CCOC(=O)c1cn(COCC[Si](C)(C)C)nc1I.CCOC(=O)c1cn[nH]c1I.C[Si](C)(C)CCOCCl.Cc1cnc2c(C#N)cc(Cn3cc(C(=O)NCc4c(C)cc(N)nc4C)c(C#N)n3)cc2c1
InChIInChI=1S/C25H22N8O.C12H21IN2O3Si.C6H15ClOSi.C6H7IN2O2.2CH4/c1-14-4-18-6-17(7-19(8-26)24(18)29-10-14)12-33-13-21(22(9-27)32-33)25(34)30-11-20-15(2)5-23(28)31-16(20)3;1-5-18-12(16)10-8-15(14-11(10)13)9-17-6-7-19(2,3)4;1-9(2,3)5-4-8-6-7;1-2-11-6(10)4-3-8-9-5(4)7;;/h4-7,10,13H,11-12H2,1-3H3,(H2,28,31)(H,30,34);8H,5-7,9H2,1-4H3;4-6H2,1-3H3;3H,2H2,1H3,(H,8,9);2*1H4
InChIKeyKDAQAAVHYJZRJP-UHFFFAOYSA-N
MW1311.65 g/mol
LogP11.03
Rot. Bonds18

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-cyano-1-[(8-cyano-3-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide;2-(chloromethoxy)ethyl-trimethylsilane;ethyl 5-iodo-1H-pyrazole-4-carboxylate;ethyl 3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;methane

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-cyano-1-[(8-cyano-3-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide;2-(chloromethoxy)ethyl-trimethylsilane;ethyl 5-iodo-1H-pyrazole-4-carboxylate;ethyl 3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;methane (PubChem CID 159099009) has the molecular formula C51H73ClI2N12O7Si2 and a molecular weight of 1311.65 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-cyano-1-[(8-cyano-3-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide;2-(chloromethoxy)ethyl-trimethylsilane;ethyl 5-iodo-1H-pyrazole-4-carboxylate;ethyl 3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;methane.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-cyano-1-[(8-cyano-3-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide;2-(chloromethoxy)ethyl-trimethylsilane;ethyl 5-iodo-1H-pyrazole-4-carboxylate;ethyl 3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;methane
PubChem CID159099009
Molecular FormulaC51H73ClI2N12O7Si2
Molecular Weight1311.65 g/mol
Exact Mass1310.30
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-cyano-1-[(8-cyano-3-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide;2-(chloromethoxy)ethyl-trimethylsilane;ethyl 5-iodo-1H-pyrazole-4-carboxylate;ethyl 3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;methane
SMILESC.C.CCOC(=O)c1cn(COCC[Si](C)(C)C)nc1I.CCOC(=O)c1cn[nH]c1I.C[Si](C)(C)CCOCCl.Cc1cnc2c(C#N)cc(Cn3cc(C(=O)NCc4c(C)cc(N)nc4C)c(C#N)n3)cc2c1
InChIInChI=1S/C25H22N8O.C12H21IN2O3Si.C6H15ClOSi.C6H7IN2O2.2CH4/c1-14-4-18-6-17(7-19(8-26)24(18)29-10-14)12-33-13-21(22(9-27)32-33)25(34)30-11-20-15(2)5-23(28)31-16(20)3;1-5-18-12(16)10-8-15(14-11(10)13)9-17-6-7-19(2,3)4;1-9(2,3)5-4-8-6-7;1-2-11-6(10)4-3-8-9-5(4)7;;/h4-7,10,13H,11-12H2,1-3H3,(H2,28,31)(H,30,34);8H,5-7,9H2,1-4H3;4-6H2,1-3H3;3H,2H2,1H3,(H,8,9);2*1H4
InChIKeyKDAQAAVHYJZRJP-UHFFFAOYSA-N
XLogP11.03
TPSA263.86 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001311.65
LogP ≤ 511.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-cyano-1-[(8-cyano-3-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide;2-(chloromethoxy)ethyl-trimethylsilane;ethyl 5-iodo-1H-pyrazole-4-carboxylate;ethyl 3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;methane with MolForge

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Related Compounds

6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-3-cyanopyrazol-1-yl]methyl]-3-chloroquinoline-8-carboxamide
CID 134178607
sodium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-methylsulfonylquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxamide;(3-chloro-8-iodoquinolin-6-yl)methanol;(3-chloro-8-methylsulfonylquinolin-6-yl)methanol;methanesulfinate
CID 159853988
ethyl 1-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-3-cyanopyrazole-4-carboxylate;ethyl 1-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-3-iodopyrazole-4-carboxylate;methane
CID 161048059
bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4-methylpyridin-2-amine;methyl 2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxylate
CID 159457287
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(8-fluoro-3-methylquinolin-6-yl)methyl]-5-methylpyrazole-4-carboxamide
CID 145441034
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide;ethyl 1H-pyrazole-4-carboxylate;1-[(4-methylphenyl)methyl]pyrazole-4-carboxylic acid
CID 158294833
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(E)-3-(5-chloro-2-ethynyl-3-pyridinyl)-2-methylprop-2-enyl]-3-cyanopyrazole-4-carboxamide
CID 138658735
4-acetyl-1-[(8-cyano-3-methylquinolin-6-yl)methyl]pyrazole-3-carboxamide
CID 145441090
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[2-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;methane;2-[[2-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methyl]pyridine-4-carboxylic acid
CID 160731790
1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxylic acid;ethyl 1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxylate;methane
CID 159831333
6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxylic acid;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;methane;methyl 6-[(4-methoxycarbonyl-2-pyridinyl)methyl]-3-methylquinoline-8-carboxylate
CID 160671400
bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;deuterio(fluoro)methane;methane;hydrochloride
CID 160902487

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-cyano-1-[(8-cyano-3-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide;2-(chloromethoxy)ethyl-trimethylsilane;ethyl 5-iodo-1H-pyrazole-4-carboxylate;ethyl 3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;methane?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-cyano-1-[(8-cyano-3-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide;2-(chloromethoxy)ethyl-trimethylsilane;ethyl 5-iodo-1H-pyrazole-4-carboxylate;ethyl 3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;methane (CID 159099009) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-cyano-1-[(8-cyano-3-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide;2-(chloromethoxy)ethyl-trimethylsilane;ethyl 5-iodo-1H-pyrazole-4-carboxylate;ethyl 3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;methane.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-cyano-1-[(8-cyano-3-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide;2-(chloromethoxy)ethyl-trimethylsilane;ethyl 5-iodo-1H-pyrazole-4-carboxylate;ethyl 3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;methane?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-cyano-1-[(8-cyano-3-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide;2-(chloromethoxy)ethyl-trimethylsilane;ethyl 5-iodo-1H-pyrazole-4-carboxylate;ethyl 3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;methane is C.C.CCOC(=O)c1cn(COCC[Si](C)(C)C)nc1I.CCOC(=O)c1cn[nH]c1I.C[Si](C)(C)CCOCCl.Cc1cnc2c(C#N)cc(Cn3cc(C(=O)NCc4c(C)cc(N)nc4C)c(C#N)n3)cc2c1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-cyano-1-[(8-cyano-3-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide;2-(chloromethoxy)ethyl-trimethylsilane;ethyl 5-iodo-1H-pyrazole-4-carboxylate;ethyl 3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;methane?
The InChIKey is KDAQAAVHYJZRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N8O.C12H21IN2O3Si.C6H15ClOSi.C6H7IN2O2.2CH4/c1-14-4-18-6-17(7-19(8-26)24(18)29-10-14)12-33-13-21(22(9-27)32-33)25(34)30-11-20-15(2)5-23(28)31-16(20)3;1-5-18-12(16)10-8-15(14-11(10)13)9-17-6-7-19(2,3)4;1-9(2,3)5-4-8-6-7;1-2-11-6(10)4-3-8-9-5(4)7;;/h4-7,10,13H,11-12H2,1-3H3,(H2,28,31)(H,30,34);8H,5-7,9H2,1-4H3;4-6H2,1-3H3;3H,2H2,1H3,(H,8,9);2*1H4.
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-cyano-1-[(8-cyano-3-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide;2-(chloromethoxy)ethyl-trimethylsilane;ethyl 5-iodo-1H-pyrazole-4-carboxylate;ethyl 3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;methane?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-cyano-1-[(8-cyano-3-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide;2-(chloromethoxy)ethyl-trimethylsilane;ethyl 5-iodo-1H-pyrazole-4-carboxylate;ethyl 3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;methane has a molecular weight of 1311.65 g/mol, XLogP of 11.03, 18 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-cyano-1-[(8-cyano-3-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide;2-(chloromethoxy)ethyl-trimethylsilane;ethyl 5-iodo-1H-pyrazole-4-carboxylate;ethyl 3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;methane is sourced from PubChem (CID 159099009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).