1-[5-imidazo[1,2-a]pyridin-6-yl-6-(1-propan-2-ylpyrazol-3-yl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone

C20H21N7O — CID 146407887

IUPAC1-[5-imidazo[1,2-a]pyridin-6-yl-6-(1-propan-2-ylpyrazol-3-yl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone
SMILESCC(=O)N1CCn2c1nc(-c1ccn(C(C)C)n1)c2-c1ccc2nccn2c1
InChIInChI=1S/C20H21N7O/c1-13(2)27-8-6-16(23-27)18-19(15-4-5-17-21-7-9-24(17)12-15)26-11-10-25(14(3)28)20(26)22-18/h4-9,12-13H,10-11H2,1-3H3
InChIKeyVSRIVNHSNBHIHJ-UHFFFAOYSA-N
MW375.44 g/mol
LogP3.01
Rot. Bonds3

About 1-[5-imidazo[1,2-a]pyridin-6-yl-6-(1-propan-2-ylpyrazol-3-yl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone

1-[5-imidazo[1,2-a]pyridin-6-yl-6-(1-propan-2-ylpyrazol-3-yl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone (PubChem CID 146407887) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is 1-[5-imidazo[1,2-a]pyridin-6-yl-6-(1-propan-2-ylpyrazol-3-yl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-imidazo[1,2-a]pyridin-6-yl-6-(1-propan-2-ylpyrazol-3-yl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone
PubChem CID146407887
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name1-[5-imidazo[1,2-a]pyridin-6-yl-6-(1-propan-2-ylpyrazol-3-yl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone
SMILESCC(=O)N1CCn2c1nc(-c1ccn(C(C)C)n1)c2-c1ccc2nccn2c1
InChIInChI=1S/C20H21N7O/c1-13(2)27-8-6-16(23-27)18-19(15-4-5-17-21-7-9-24(17)12-15)26-11-10-25(14(3)28)20(26)22-18/h4-9,12-13H,10-11H2,1-3H3
InChIKeyVSRIVNHSNBHIHJ-UHFFFAOYSA-N
XLogP3.01
TPSA73.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[5-imidazo[1,2-a]pyridin-6-yl-6-(1-propan-2-ylpyrazol-3-yl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone with MolForge

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Related Compounds

6-[6-(1-cyclopropylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]imidazo[1,2-a]pyridine
CID 163520701
4-imidazo[1,2-a]pyridin-6-ylbenzoic acid
CID 82063340
6-[2-(3,4-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine
CID 121349978
6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine
CID 121350007
3-imidazo[1,2-a]pyridin-6-yl-2-methyl-4-propan-2-yl-7H-pyrazolo[3,4-d]pyrimidin-6-one
CID 136930886
6-[2-(4-fluoro-2,5-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine
CID 121350131
ethane;6-propan-2-ylimidazo[1,2-a]pyridine
CID 145229849
tert-butyl 2-[(6-imidazo[1,2-a]pyridin-6-yl-3-pyridinyl)oxy]acetate
CID 167810976
6-imidazo[1,2-a]pyridin-6-ylpyridin-2-amine;propanoic acid
CID 162104497
(3-fluoro-4-imidazo[1,2-a]pyridin-6-ylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 141381358
[5-(difluoromethyl)-4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)pyrazol-1-yl] thiohypofluorite
CID 134202721
1-(4-imidazo[1,2-a]pyridin-6-ylphenyl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazole-4-carboxylic acid
CID 71198466

Frequently Asked Questions

What is the IUPAC name of 1-[5-imidazo[1,2-a]pyridin-6-yl-6-(1-propan-2-ylpyrazol-3-yl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone?
The IUPAC name of 1-[5-imidazo[1,2-a]pyridin-6-yl-6-(1-propan-2-ylpyrazol-3-yl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone (CID 146407887) is 1-[5-imidazo[1,2-a]pyridin-6-yl-6-(1-propan-2-ylpyrazol-3-yl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone.
What is the SMILES notation for 1-[5-imidazo[1,2-a]pyridin-6-yl-6-(1-propan-2-ylpyrazol-3-yl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone?
The canonical SMILES for 1-[5-imidazo[1,2-a]pyridin-6-yl-6-(1-propan-2-ylpyrazol-3-yl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone is CC(=O)N1CCn2c1nc(-c1ccn(C(C)C)n1)c2-c1ccc2nccn2c1.
What is the InChIKey of 1-[5-imidazo[1,2-a]pyridin-6-yl-6-(1-propan-2-ylpyrazol-3-yl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone?
The InChIKey is VSRIVNHSNBHIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O/c1-13(2)27-8-6-16(23-27)18-19(15-4-5-17-21-7-9-24(17)12-15)26-11-10-25(14(3)28)20(26)22-18/h4-9,12-13H,10-11H2,1-3H3.
What are the key properties of 1-[5-imidazo[1,2-a]pyridin-6-yl-6-(1-propan-2-ylpyrazol-3-yl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone?
1-[5-imidazo[1,2-a]pyridin-6-yl-6-(1-propan-2-ylpyrazol-3-yl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone has a molecular weight of 375.44 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-imidazo[1,2-a]pyridin-6-yl-6-(1-propan-2-ylpyrazol-3-yl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone is sourced from PubChem (CID 146407887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).