N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-1-(propylamino)propan-2-yl]benzamide

C24H28N6O — CID 59175461

IUPACN-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-1-(propylamino)propan-2-yl]benzamide
SMILESCCCNCC(C)(C)c1ccc(C(=O)Nc2cn3cc(-n4ccnc4)ccc3n2)cc1
InChIInChI=1S/C24H28N6O/c1-4-11-25-16-24(2,3)19-7-5-18(6-8-19)23(31)28-21-15-30-14-20(9-10-22(30)27-21)29-13-12-26-17-29/h5-10,12-15,17,25H,4,11,16H2,1-3H3,(H,28,31)
InChIKeyMBQSYTBXSKNHCD-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.05
Rot. Bonds8

About N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-1-(propylamino)propan-2-yl]benzamide

N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-1-(propylamino)propan-2-yl]benzamide (PubChem CID 59175461) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-1-(propylamino)propan-2-yl]benzamide.

Molecular Properties

Compound NameN-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-1-(propylamino)propan-2-yl]benzamide
PubChem CID59175461
Molecular FormulaC24H28N6O
Molecular Weight416.53 g/mol
Exact Mass416.23
IUPAC NameN-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-1-(propylamino)propan-2-yl]benzamide
SMILESCCCNCC(C)(C)c1ccc(C(=O)Nc2cn3cc(-n4ccnc4)ccc3n2)cc1
InChIInChI=1S/C24H28N6O/c1-4-11-25-16-24(2,3)19-7-5-18(6-8-19)23(31)28-21-15-30-14-20(9-10-22(30)27-21)29-13-12-26-17-29/h5-10,12-15,17,25H,4,11,16H2,1-3H3,(H,28,31)
InChIKeyMBQSYTBXSKNHCD-UHFFFAOYSA-N
XLogP4.05
TPSA76.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)-4-[1-(methanesulfonamido)-2-methylpropan-2-yl]benzamide
CID 59175320
4-tert-butyl-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide;methanesulfonic acid
CID 86638590
4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide
CID 68661327
N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-4-(2H-tetrazol-5-yl)butan-2-yl]benzamide
CID 59175475
4-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide
CID 156773409
N-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-1-(propanoylamino)propan-2-yl]benzamide
CID 59175341
4-imidazol-1-yl-N-propylbenzamide
CID 31533072
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-4-imidazol-1-ylbenzamide
CID 59252090
N-(6-imidazol-1-ylimidazo[1,2-b]pyridazin-2-yl)-4-(trifluoromethyl)benzamide
CID 59175622
N-(6-imidazol-1-ylimidazo[1,2-b]pyridazin-2-yl)-4-(trifluoromethyl)benzamide;methane
CID 159160945
4-(4-cyano-2-methylbutan-2-yl)-N-(6-iodoimidazo[1,2-a]pyridin-2-yl)benzamide
CID 59175307
4-imidazol-1-yl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 31533394

Frequently Asked Questions

What is the IUPAC name of N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-1-(propylamino)propan-2-yl]benzamide?
The IUPAC name of N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-1-(propylamino)propan-2-yl]benzamide (CID 59175461) is N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-1-(propylamino)propan-2-yl]benzamide.
What is the SMILES notation for N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-1-(propylamino)propan-2-yl]benzamide?
The canonical SMILES for N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-1-(propylamino)propan-2-yl]benzamide is CCCNCC(C)(C)c1ccc(C(=O)Nc2cn3cc(-n4ccnc4)ccc3n2)cc1.
What is the InChIKey of N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-1-(propylamino)propan-2-yl]benzamide?
The InChIKey is MBQSYTBXSKNHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O/c1-4-11-25-16-24(2,3)19-7-5-18(6-8-19)23(31)28-21-15-30-14-20(9-10-22(30)27-21)29-13-12-26-17-29/h5-10,12-15,17,25H,4,11,16H2,1-3H3,(H,28,31).
What are the key properties of N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-1-(propylamino)propan-2-yl]benzamide?
N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-1-(propylamino)propan-2-yl]benzamide has a molecular weight of 416.53 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-1-(propylamino)propan-2-yl]benzamide is sourced from PubChem (CID 59175461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).