N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-2-cyanoimidazole-4-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-2-cyanoimidazole-4-carboxylic acid

C38H29Cl2N11O3 — CID 158014252

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-2-cyanoimidazole-4-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-2-cyanoimidazole-4-carboxylic acid
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c(C#N)n1.N#Cc1nc(C(=O)O)cn1Cc1ccc2ncc(Cl)cc2c1
InChIInChI=1S/C23H20ClN7O.C15H9ClN4O2/c1-13-5-21(26)29-14(2)18(13)10-28-23(32)20-12-31(22(8-25)30-20)11-15-3-4-19-16(6-15)7-17(24)9-27-19;16-11-4-10-3-9(1-2-12(10)18-6-11)7-20-8-13(15(21)22)19-14(20)5-17/h3-7,9,12H,10-11H2,1-2H3,(H2,26,29)(H,28,32);1-4,6,8H,7H2,(H,21,22)
InChIKeyFFGNHXUBMGYRRB-UHFFFAOYSA-N
MW758.63 g/mol
LogP6.23
Rot. Bonds8

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-2-cyanoimidazole-4-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-2-cyanoimidazole-4-carboxylic acid

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-2-cyanoimidazole-4-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-2-cyanoimidazole-4-carboxylic acid (PubChem CID 158014252) has the molecular formula C38H29Cl2N11O3 and a molecular weight of 758.63 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-2-cyanoimidazole-4-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-2-cyanoimidazole-4-carboxylic acid.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-2-cyanoimidazole-4-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-2-cyanoimidazole-4-carboxylic acid
PubChem CID158014252
Molecular FormulaC38H29Cl2N11O3
Molecular Weight758.63 g/mol
Exact Mass757.18
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-2-cyanoimidazole-4-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-2-cyanoimidazole-4-carboxylic acid
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c(C#N)n1.N#Cc1nc(C(=O)O)cn1Cc1ccc2ncc(Cl)cc2c1
InChIInChI=1S/C23H20ClN7O.C15H9ClN4O2/c1-13-5-21(26)29-14(2)18(13)10-28-23(32)20-12-31(22(8-25)30-20)11-15-3-4-19-16(6-15)7-17(24)9-27-19;16-11-4-10-3-9(1-2-12(10)18-6-11)7-20-8-13(15(21)22)19-14(20)5-17/h3-7,9,12H,10-11H2,1-2H3,(H2,26,29)(H,28,32);1-4,6,8H,7H2,(H,21,22)
InChIKeyFFGNHXUBMGYRRB-UHFFFAOYSA-N
XLogP6.23
TPSA214.31 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500758.63
LogP ≤ 56.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-2-cyanoimidazole-4-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-2-cyanoimidazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10301284, Example 28
CID 134177999
US10781200, Example 111
CID 134178129
US10301284, Example 113
CID 134178350
US10301284, Example 110
CID 134178434
US10301284, Example 5
CID 134178458
US10301284, Example 112
CID 134178616
US10301284, Example 3
CID 134178766
US10301284, Example 111
CID 138658478
US10301284, Example 105
CID 134177927
(2S)-3-acetamido-2-[4-[5-[3-chloro-4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]quinolin-6-yl]pyrimidin-2-yl]piperazin-1-yl]propanoic acid
CID 126531495
3-acetamido-2-[4-[5-[3-chloro-4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]quinolin-6-yl]pyrimidin-2-yl]piperazin-1-yl]propanoic acid
CID 126531499
3-Acetamido-2-[4-[5-[3-chloro-4-[1-(2-fluorophenyl)ethylamino]quinolin-6-yl]pyrimidin-2-yl]piperazin-1-yl]propanoic acid
CID 135286461

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-cyanoimidazole-4-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-2-cyanoimidazole-4-carboxylic acid?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-2-cyanoimidazole-4-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-2-cyanoimidazole-4-carboxylic acid (CID 158014252) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-2-cyanoimidazole-4-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-2-cyanoimidazole-4-carboxylic acid.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-2-cyanoimidazole-4-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-2-cyanoimidazole-4-carboxylic acid?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-2-cyanoimidazole-4-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-2-cyanoimidazole-4-carboxylic acid is Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c(C#N)n1.N#Cc1nc(C(=O)O)cn1Cc1ccc2ncc(Cl)cc2c1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-2-cyanoimidazole-4-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-2-cyanoimidazole-4-carboxylic acid?
The InChIKey is FFGNHXUBMGYRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN7O.C15H9ClN4O2/c1-13-5-21(26)29-14(2)18(13)10-28-23(32)20-12-31(22(8-25)30-20)11-15-3-4-19-16(6-15)7-17(24)9-27-19;16-11-4-10-3-9(1-2-12(10)18-6-11)7-20-8-13(15(21)22)19-14(20)5-17/h3-7,9,12H,10-11H2,1-2H3,(H2,26,29)(H,28,32);1-4,6,8H,7H2,(H,21,22).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-2-cyanoimidazole-4-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-2-cyanoimidazole-4-carboxylic acid?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-2-cyanoimidazole-4-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-2-cyanoimidazole-4-carboxylic acid has a molecular weight of 758.63 g/mol, XLogP of 6.23, 8 rotatable bonds, 3 hydrogen bond donors, and 12 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-cyanoimidazole-4-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-2-cyanoimidazole-4-carboxylic acid is sourced from PubChem (CID 158014252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).