3-(isocyanomethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;N-methyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid

C69H67N11O4 — CID 157462016

IUPAC3-(isocyanomethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;N-methyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid
SMILESCNC(=O)Cc1c(-c2ccc(C)cc2)nc2ccc(C)cn12.Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)O)cc1.Cc1ccc(-c2nc3ccc(C)cn3c2CC(N)=O)cc1.[C-]#[N+]Cc1c(-c2ccc(C)cc2)nc2ccc(C)cn12
InChIInChI=1S/C18H19N3O.C17H17N3O.C17H15N3.C17H16N2O2/c1-12-4-7-14(8-5-12)18-15(10-17(22)19-3)21-11-13(2)6-9-16(21)20-18;1-11-3-6-13(7-4-11)17-14(9-15(18)21)20-10-12(2)5-8-16(20)19-17;1-12-4-7-14(8-5-12)17-15(10-18-3)20-11-13(2)6-9-16(20)19-17;1-11-3-6-13(7-4-11)17-14(9-16(20)21)19-10-12(2)5-8-15(19)18-17/h4-9,11H,10H2,1-3H3,(H,19,22);3-8,10H,9H2,1-2H3,(H2,18,21);4-9,11H,10H2,1-2H3;3-8,10H,9H2,1-2H3,(H,20,21)
InChIKeyBUANZCNDIRQVBH-UHFFFAOYSA-N
MW1114.37 g/mol
LogP12.84
Rot. Bonds11

About 3-(isocyanomethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;N-methyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid

3-(isocyanomethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;N-methyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid (PubChem CID 157462016) has the molecular formula C69H67N11O4 and a molecular weight of 1114.37 g/mol. Its IUPAC name is 3-(isocyanomethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;N-methyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid.

Molecular Properties

Compound Name3-(isocyanomethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;N-methyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid
PubChem CID157462016
Molecular FormulaC69H67N11O4
Molecular Weight1114.37 g/mol
Exact Mass1113.54
IUPAC Name3-(isocyanomethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;N-methyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid
SMILESCNC(=O)Cc1c(-c2ccc(C)cc2)nc2ccc(C)cn12.Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)O)cc1.Cc1ccc(-c2nc3ccc(C)cn3c2CC(N)=O)cc1.[C-]#[N+]Cc1c(-c2ccc(C)cc2)nc2ccc(C)cn12
InChIInChI=1S/C18H19N3O.C17H17N3O.C17H15N3.C17H16N2O2/c1-12-4-7-14(8-5-12)18-15(10-17(22)19-3)21-11-13(2)6-9-16(21)20-18;1-11-3-6-13(7-4-11)17-14(9-15(18)21)20-10-12(2)5-8-16(20)19-17;1-12-4-7-14(8-5-12)17-15(10-18-3)20-11-13(2)6-9-16(20)19-17;1-11-3-6-13(7-4-11)17-14(9-16(20)21)19-10-12(2)5-8-15(19)18-17/h4-9,11H,10H2,1-3H3,(H,19,22);3-8,10H,9H2,1-2H3,(H2,18,21);4-9,11H,10H2,1-2H3;3-8,10H,9H2,1-2H3,(H,20,21)
InChIKeyBUANZCNDIRQVBH-UHFFFAOYSA-N
XLogP12.84
TPSA183.05 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001114.37
LogP ≤ 512.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 3-(isocyanomethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;N-methyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid with MolForge

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Related Compounds

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2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propan-1-amine;2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propanoic acid;bis(N-[2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propyl]-2,2,2-trifluoroacetamide)
CID 158259551
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CID 160327795
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CID 161140538
3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylimidazol-2-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]ethyl]indolizine-7-carboxamide;methane;6-methyl-2-(1-methylimidazol-2-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid
CID 162040701
N,N-bis(1H-benzimidazol-2-ylmethyl)-1,1-dipyridin-2-ylmethanamine;N,N-bis[(6-methyl-2-pyridinyl)methyl]-1,1-dipyridin-2-ylmethanamine;2-[6-[[[5-(carboxymethyl)-2-pyridinyl]methyl-(dipyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]acetic acid;N-methyl-1,1-dipyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;2-phenyl-1,1-dipyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine
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2-[4-[3-[2-(Methylamino)-6-phenyl-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]phenyl]acetic acid
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1-N,4-N-bis[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-3-yl]benzene-1,4-dicarboxamide
CID 44633273
1-N,4-N-bis[(3S,5S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-5-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-3-yl]benzene-1,4-dicarboxamide
CID 44633274
methyl (3R)-4-[(2S)-2-[5-[4-[6-[1-[(2R)-2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-3H-pyrrolo[2,3-b]pyridin-2-yl]pyrrolidin-1-yl]-4-oxo-3-phenylbutanoate
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3-(6-Amino-3-pyridinyl)-2-[1-[4-[[4-[[1-[4-[4-[2-(6-amino-3-pyridinyl)-1-carboxyethyl]imidazol-1-yl]butanoylamino]cyclopropyl]methyl]phenyl]methylamino]-4-oxobutyl]imidazol-4-yl]propanoic acid
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[(1R)-2-[(2S)-2-[6-[4-[6-[1-[(2R)-2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamic acid
CID 68212758

Frequently Asked Questions

What is the IUPAC name of 3-(isocyanomethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;N-methyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid?
The IUPAC name of 3-(isocyanomethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;N-methyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid (CID 157462016) is 3-(isocyanomethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;N-methyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid.
What is the SMILES notation for 3-(isocyanomethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;N-methyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid?
The canonical SMILES for 3-(isocyanomethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;N-methyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid is CNC(=O)Cc1c(-c2ccc(C)cc2)nc2ccc(C)cn12.Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)O)cc1.Cc1ccc(-c2nc3ccc(C)cn3c2CC(N)=O)cc1.[C-]#[N+]Cc1c(-c2ccc(C)cc2)nc2ccc(C)cn12.
What is the InChIKey of 3-(isocyanomethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;N-methyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid?
The InChIKey is BUANZCNDIRQVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O.C17H17N3O.C17H15N3.C17H16N2O2/c1-12-4-7-14(8-5-12)18-15(10-17(22)19-3)21-11-13(2)6-9-16(21)20-18;1-11-3-6-13(7-4-11)17-14(9-15(18)21)20-10-12(2)5-8-16(20)19-17;1-12-4-7-14(8-5-12)17-15(10-18-3)20-11-13(2)6-9-16(20)19-17;1-11-3-6-13(7-4-11)17-14(9-16(20)21)19-10-12(2)5-8-15(19)18-17/h4-9,11H,10H2,1-3H3,(H,19,22);3-8,10H,9H2,1-2H3,(H2,18,21);4-9,11H,10H2,1-2H3;3-8,10H,9H2,1-2H3,(H,20,21).
What are the key properties of 3-(isocyanomethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;N-methyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid?
3-(isocyanomethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;N-methyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid has a molecular weight of 1114.37 g/mol, XLogP of 12.84, 11 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(isocyanomethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;N-methyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid is sourced from PubChem (CID 157462016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).