2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide);hydrochloride

C42H49ClN6O8 — CID 77342331

IUPAC2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide);hydrochloride
SMILESCc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1.Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1.Cl.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/2C19H21N3O.C4H6O6.ClH/c2*1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19;5-1(3(7)8)2(6)4(9)10;/h2*5-10,12H,11H2,1-4H3;1-2,5-6H,(H,7,8)(H,9,10);1H
InChIKeyVXMPMNYURPJMCX-UHFFFAOYSA-N
MW801.34 g/mol
LogP4.80
Rot. Bonds9

About 2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide);hydrochloride

2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide);hydrochloride (PubChem CID 77342331) has the molecular formula C42H49ClN6O8 and a molecular weight of 801.34 g/mol. Its IUPAC name is 2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide);hydrochloride.

Molecular Properties

Compound Name2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide);hydrochloride
PubChem CID77342331
Molecular FormulaC42H49ClN6O8
Molecular Weight801.34 g/mol
Exact Mass800.33
IUPAC Name2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide);hydrochloride
SMILESCc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1.Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1.Cl.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/2C19H21N3O.C4H6O6.ClH/c2*1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19;5-1(3(7)8)2(6)4(9)10;/h2*5-10,12H,11H2,1-4H3;1-2,5-6H,(H,7,8)(H,9,10);1H
InChIKeyVXMPMNYURPJMCX-UHFFFAOYSA-N
XLogP4.80
TPSA190.28 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500801.34
LogP ≤ 54.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide);hydrochloride 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

N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;oxalic acid
CID 175437042
N,N'-bis(2-hydroxyethyl)nonanediamide;2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide)
CID 173161124
2-[2-(4-iodophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dimethylacetamide
CID 10319898
N-methyl-2-[6-methyl-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(trideuteriomethyl)acetamide
CID 59023546
2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;hydrochloride
CID 74889750
N,N-dimethyl-3-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 13267864
ethane;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid
CID 143742261
2-[5-deuterio-2-(4-methylphenyl)-6-(trideuteriomethyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylacetamide
CID 59293817
3-bromo-N,N-dimethyl-4-(4-methylphenyl)-4-oxobutanamide;bis(2,3-dihydroxybutanedioic acid);bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide);N,N-dimethyl-4-(4-methylphenyl)-4-oxobutanamide;5-methylpyridin-2-amine
CID 159352450
2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide);8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 173274664
2-[2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
CID 143657498
2-[2-(3,4-difluorophenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]-N,N-dimethylacetamide
CID 134152043

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide);hydrochloride?
The IUPAC name of 2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide);hydrochloride (CID 77342331) is 2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide);hydrochloride.
What is the SMILES notation for 2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide);hydrochloride?
The canonical SMILES for 2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide);hydrochloride is Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1.Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1.Cl.O=C(O)C(O)C(O)C(=O)O.
What is the InChIKey of 2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide);hydrochloride?
The InChIKey is VXMPMNYURPJMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H21N3O.C4H6O6.ClH/c2*1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19;5-1(3(7)8)2(6)4(9)10;/h2*5-10,12H,11H2,1-4H3;1-2,5-6H,(H,7,8)(H,9,10);1H.
What are the key properties of 2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide);hydrochloride?
2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide);hydrochloride has a molecular weight of 801.34 g/mol, XLogP of 4.80, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide);hydrochloride is sourced from PubChem (CID 77342331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).