N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-4-(2H-tetrazol-5-yl)butan-2-yl]benzamide

C23H23N9O — CID 59175475

IUPACN-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-4-(2H-tetrazol-5-yl)butan-2-yl]benzamide
SMILESCC(C)(CCc1nn[nH]n1)c1ccc(C(=O)Nc2cn3cc(-n4ccnc4)ccc3n2)cc1
InChIInChI=1S/C23H23N9O/c1-23(2,10-9-19-27-29-30-28-19)17-5-3-16(4-6-17)22(33)26-20-14-32-13-18(7-8-21(32)25-20)31-12-11-24-15-31/h3-8,11-15H,9-10H2,1-2H3,(H,26,33)(H,27,28,29,30)
InChIKeyWJSSLOOWNVXSNX-UHFFFAOYSA-N
MW441.50 g/mol
LogP3.20
Rot. Bonds7

About N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-4-(2H-tetrazol-5-yl)butan-2-yl]benzamide

N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-4-(2H-tetrazol-5-yl)butan-2-yl]benzamide (PubChem CID 59175475) has the molecular formula C23H23N9O and a molecular weight of 441.50 g/mol. Its IUPAC name is N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-4-(2H-tetrazol-5-yl)butan-2-yl]benzamide.

Molecular Properties

Compound NameN-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-4-(2H-tetrazol-5-yl)butan-2-yl]benzamide
PubChem CID59175475
Molecular FormulaC23H23N9O
Molecular Weight441.50 g/mol
Exact Mass441.20
IUPAC NameN-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-4-(2H-tetrazol-5-yl)butan-2-yl]benzamide
SMILESCC(C)(CCc1nn[nH]n1)c1ccc(C(=O)Nc2cn3cc(-n4ccnc4)ccc3n2)cc1
InChIInChI=1S/C23H23N9O/c1-23(2,10-9-19-27-29-30-28-19)17-5-3-16(4-6-17)22(33)26-20-14-32-13-18(7-8-21(32)25-20)31-12-11-24-15-31/h3-8,11-15H,9-10H2,1-2H3,(H,26,33)(H,27,28,29,30)
InChIKeyWJSSLOOWNVXSNX-UHFFFAOYSA-N
XLogP3.20
TPSA118.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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
N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-1-(propylamino)propan-2-yl]benzamide
CID 59175461
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
4-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide
CID 156773409
4-(4-cyano-2-methylbutan-2-yl)-N-(6-iodoimidazo[1,2-a]pyridin-2-yl)benzamide
CID 59175307
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
4-[(4-imidazol-1-ylbenzoyl)amino]-4-methylpentanoic acid
CID 119357488
4-imidazol-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide
CID 167969913
N-(6-imidazol-1-ylimidazo[1,2-b]pyridazin-2-yl)-4-(trifluoromethyl)benzamide;methane
CID 159160945
N-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-1-(propanoylamino)propan-2-yl]benzamide
CID 59175341

Frequently Asked Questions

What is the IUPAC name of N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-4-(2H-tetrazol-5-yl)butan-2-yl]benzamide?
The IUPAC name of 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) is N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-4-(2H-tetrazol-5-yl)butan-2-yl]benzamide.
What is the SMILES notation for N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-4-(2H-tetrazol-5-yl)butan-2-yl]benzamide?
The canonical SMILES for N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-4-(2H-tetrazol-5-yl)butan-2-yl]benzamide is CC(C)(CCc1nn[nH]n1)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-4-(2H-tetrazol-5-yl)butan-2-yl]benzamide?
The InChIKey is WJSSLOOWNVXSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N9O/c1-23(2,10-9-19-27-29-30-28-19)17-5-3-16(4-6-17)22(33)26-20-14-32-13-18(7-8-21(32)25-20)31-12-11-24-15-31/h3-8,11-15H,9-10H2,1-2H3,(H,26,33)(H,27,28,29,30).
What are the key properties of N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-4-(2H-tetrazol-5-yl)butan-2-yl]benzamide?
N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-4-(2H-tetrazol-5-yl)butan-2-yl]benzamide has a molecular weight of 441.50 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 8 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-4-(2H-tetrazol-5-yl)butan-2-yl]benzamide is sourced from PubChem (CID 59175475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).