N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxylate;methyl 3-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxylate

C80H82Cl4N18O10 — CID 159460422

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxylate;methyl 3-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxylate
SMILESC.C.COC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c(CO)n1.COC(=O)c1cnc(CO)n1Cc1ccc2ncc(Cl)cc2c1.Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c(CO)n1.Cc1cc(N)nc(C)c1CNC(=O)c1cnc(CO)n1Cc1ccc2ncc(Cl)cc2c1
InChIInChI=1S/2C23H23ClN6O2.2C16H14ClN3O3.2CH4/c1-13-5-21(25)29-14(2)18(13)9-28-23(32)20-10-27-22(12-31)30(20)11-15-3-4-19-16(6-15)7-17(24)8-26-19;1-13-5-21(25)28-14(2)18(13)9-27-23(32)20-11-30(22(12-31)29-20)10-15-3-4-19-16(6-15)7-17(24)8-26-19;1-23-16(22)14-7-19-15(9-21)20(14)8-10-2-3-13-11(4-10)5-12(17)6-18-13;1-23-16(22)14-8-20(15(9-21)19-14)7-10-2-3-13-11(4-10)5-12(17)6-18-13;;/h3-8,10,31H,9,11-12H2,1-2H3,(H2,25,29)(H,28,32);3-8,11,31H,9-10,12H2,1-2H3,(H2,25,28)(H,27,32);2-7,21H,8-9H2,1H3;2-6,8,21H,7,9H2,1H3;2*1H4
InChIKeyLUNFRPPHDUCZHE-UHFFFAOYSA-N
MW1597.46 g/mol
LogP12.39
Rot. Bonds20

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxylate;methyl 3-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxylate

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxylate;methyl 3-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxylate (PubChem CID 159460422) has the molecular formula C80H82Cl4N18O10 and a molecular weight of 1597.46 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxylate;methyl 3-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxylate.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxylate;methyl 3-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxylate
PubChem CID159460422
Molecular FormulaC80H82Cl4N18O10
Molecular Weight1597.46 g/mol
Exact Mass1594.52
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxylate;methyl 3-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxylate
SMILESC.C.COC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c(CO)n1.COC(=O)c1cnc(CO)n1Cc1ccc2ncc(Cl)cc2c1.Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c(CO)n1.Cc1cc(N)nc(C)c1CNC(=O)c1cnc(CO)n1Cc1ccc2ncc(Cl)cc2c1
InChIInChI=1S/2C23H23ClN6O2.2C16H14ClN3O3.2CH4/c1-13-5-21(25)29-14(2)18(13)9-28-23(32)20-10-27-22(12-31)30(20)11-15-3-4-19-16(6-15)7-17(24)8-26-19;1-13-5-21(25)28-14(2)18(13)9-27-23(32)20-11-30(22(12-31)29-20)10-15-3-4-19-16(6-15)7-17(24)8-26-19;1-23-16(22)14-7-19-15(9-21)20(14)8-10-2-3-13-11(4-10)5-12(17)6-18-13;1-23-16(22)14-8-20(15(9-21)19-14)7-10-2-3-13-11(4-10)5-12(17)6-18-13;;/h3-8,10,31H,9,11-12H2,1-2H3,(H2,25,29)(H,28,32);3-8,11,31H,9-10,12H2,1-2H3,(H2,25,28)(H,27,32);2-7,21H,8-9H2,1H3;2-6,8,21H,7,9H2,1H3;2*1H4
InChIKeyLUNFRPPHDUCZHE-UHFFFAOYSA-N
XLogP12.39
TPSA392.38 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds20
Heavy Atoms112
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001597.46
LogP ≤ 512.39
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Analyze N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxylate;methyl 3-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxylate with MolForge

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Related Compounds

ethyl 1-[2-(tert-butylamino)pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxylate;ethyl 1-[2-[2-(2-chlorophenyl)ethylamino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxylate;ethyl 1-[2-(cyclobutylamino)pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxylate;ethyl 1-[2-[(2-fluorophenyl)methylamino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxylate;[2-phenyl-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazol-4-yl]-piperazin-1-ylmethanone
CID 159246657
CID 162220819
CID 162220819
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-(aminomethyl)-1-[(3-chloroquinolin-6-yl)methyl]imidazole-4-carboxamide;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methyl 1-[(3-chloroquinolin-6-yl)methyl]-2-ethylimidazole-4-carboxylate;methyl 1-[(3-chloroquinolin-6-yl)methyl]-2-isocyanoimidazole-4-carboxylate
CID 157206438
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-5-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]-3H-pyrrole-5-carboxylic acid;methane
CID 157232101
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-(aminomethyl)-1-[(3-chloroquinolin-6-yl)methyl]imidazole-4-carboxamide;2-carbamoyl-1-[(3-chloroquinolin-6-yl)methyl]imidazole-4-carboxylic acid;methane
CID 157264217
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;1-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-3-carboxylic acid;deuterio(fluoro)methane
CID 157475183
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1-methylimidazole-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]-1-methylimidazole-4-carboxylic acid;methane
CID 157594976
2-Amino-1-[(3-chloroquinolin-6-yl)methyl]imidazole-4-carboxylic acid;ethyl 2-amino-1-[(3-chloroquinolin-6-yl)methyl]imidazole-4-carboxylate;methane
CID 157793431
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-2-isocyanoimidazole-4-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-2-isocyanoimidazole-4-carboxylic acid;methane
CID 157819441
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-(aminomethyl)-1-[(3-chloroquinolin-6-yl)methyl]imidazole-4-carboxamide;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]-2-ethylimidazole-4-carboxylate;methyl 1-[(3-chloroquinolin-6-yl)methyl]-2-isocyanoimidazole-4-carboxylate
CID 157819784
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-3-methylimidazole-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]-3-methylimidazole-4-carboxylic acid
CID 157882457
4-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]imidazole-2,4-dicarboxamide;2-carbamoyl-1-[(3-chloroquinolin-6-yl)methyl]imidazole-4-carboxylic acid
CID 157999708

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxylate;methyl 3-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxylate?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxylate;methyl 3-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxylate (CID 159460422) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxylate;methyl 3-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxylate.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxylate;methyl 3-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxylate?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxylate;methyl 3-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxylate is C.C.COC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c(CO)n1.COC(=O)c1cnc(CO)n1Cc1ccc2ncc(Cl)cc2c1.Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c(CO)n1.Cc1cc(N)nc(C)c1CNC(=O)c1cnc(CO)n1Cc1ccc2ncc(Cl)cc2c1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxylate;methyl 3-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxylate?
The InChIKey is LUNFRPPHDUCZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H23ClN6O2.2C16H14ClN3O3.2CH4/c1-13-5-21(25)29-14(2)18(13)9-28-23(32)20-10-27-22(12-31)30(20)11-15-3-4-19-16(6-15)7-17(24)8-26-19;1-13-5-21(25)28-14(2)18(13)9-27-23(32)20-11-30(22(12-31)29-20)10-15-3-4-19-16(6-15)7-17(24)8-26-19;1-23-16(22)14-7-19-15(9-21)20(14)8-10-2-3-13-11(4-10)5-12(17)6-18-13;1-23-16(22)14-8-20(15(9-21)19-14)7-10-2-3-13-11(4-10)5-12(17)6-18-13;;/h3-8,10,31H,9,11-12H2,1-2H3,(H2,25,29)(H,28,32);3-8,11,31H,9-10,12H2,1-2H3,(H2,25,28)(H,27,32);2-7,21H,8-9H2,1H3;2-6,8,21H,7,9H2,1H3;2*1H4.
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxylate;methyl 3-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxylate?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxylate;methyl 3-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxylate has a molecular weight of 1597.46 g/mol, XLogP of 12.39, 20 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxylate;methyl 3-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxylate is sourced from PubChem (CID 159460422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).