3-imidazo[1,2-a]pyridin-6-yl-2-methyl-4-propan-2-yl-7H-pyrazolo[3,4-d]pyrimidin-6-one

C16H16N6O — CID 136930886

IUPAC3-imidazo[1,2-a]pyridin-6-yl-2-methyl-4-propan-2-yl-7H-pyrazolo[3,4-d]pyrimidin-6-one
SMILESCC(C)c1nc(=O)[nH]c2nn(C)c(-c3ccc4nccn4c3)c12
InChIInChI=1S/C16H16N6O/c1-9(2)13-12-14(21(3)20-15(12)19-16(23)18-13)10-4-5-11-17-6-7-22(11)8-10/h4-9H,1-3H3,(H,19,20,23)
InChIKeyYDCWDZUHGJFWON-UHFFFAOYSA-N
MW308.35 g/mol
LogP2.09
Rot. Bonds2

About 3-imidazo[1,2-a]pyridin-6-yl-2-methyl-4-propan-2-yl-7H-pyrazolo[3,4-d]pyrimidin-6-one

3-imidazo[1,2-a]pyridin-6-yl-2-methyl-4-propan-2-yl-7H-pyrazolo[3,4-d]pyrimidin-6-one (PubChem CID 136930886) has the molecular formula C16H16N6O and a molecular weight of 308.35 g/mol. Its IUPAC name is 3-imidazo[1,2-a]pyridin-6-yl-2-methyl-4-propan-2-yl-7H-pyrazolo[3,4-d]pyrimidin-6-one.

Molecular Properties

Compound Name3-imidazo[1,2-a]pyridin-6-yl-2-methyl-4-propan-2-yl-7H-pyrazolo[3,4-d]pyrimidin-6-one
PubChem CID136930886
Molecular FormulaC16H16N6O
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC Name3-imidazo[1,2-a]pyridin-6-yl-2-methyl-4-propan-2-yl-7H-pyrazolo[3,4-d]pyrimidin-6-one
SMILESCC(C)c1nc(=O)[nH]c2nn(C)c(-c3ccc4nccn4c3)c12
InChIInChI=1S/C16H16N6O/c1-9(2)13-12-14(21(3)20-15(12)19-16(23)18-13)10-4-5-11-17-6-7-22(11)8-10/h4-9H,1-3H3,(H,19,20,23)
InChIKeyYDCWDZUHGJFWON-UHFFFAOYSA-N
XLogP2.09
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-imidazo[1,2-a]pyridin-6-yl-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 134439395
ethane;6-propan-2-ylimidazo[1,2-a]pyridine
CID 145229849
6-[3-(4-fluorophenyl)-5-methylimidazol-4-yl]imidazo[1,2-a]pyridine
CID 171799268
carbon dioxide;6-[5-ethyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine
CID 161020469
6-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridine
CID 23629220
6-[6-(1-cyclopropylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]imidazo[1,2-a]pyridine
CID 163520701
6-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)imidazo[1,2-a]pyridine
CID 171618591
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
4-imidazo[1,2-a]pyridin-6-ylbenzoic acid
CID 82063340
6-imidazo[1,2-a]pyridin-6-yl-7-phenyl-1H-1,8-naphthyridin-4-one
CID 154604829
9-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-methyl-6-propan-2-ylpurine
CID 176927547
6-propan-2-ylsulfanylimidazo[1,2-a]pyridine
CID 139601244

Frequently Asked Questions

What is the IUPAC name of 3-imidazo[1,2-a]pyridin-6-yl-2-methyl-4-propan-2-yl-7H-pyrazolo[3,4-d]pyrimidin-6-one?
The IUPAC name of 3-imidazo[1,2-a]pyridin-6-yl-2-methyl-4-propan-2-yl-7H-pyrazolo[3,4-d]pyrimidin-6-one (CID 136930886) is 3-imidazo[1,2-a]pyridin-6-yl-2-methyl-4-propan-2-yl-7H-pyrazolo[3,4-d]pyrimidin-6-one.
What is the SMILES notation for 3-imidazo[1,2-a]pyridin-6-yl-2-methyl-4-propan-2-yl-7H-pyrazolo[3,4-d]pyrimidin-6-one?
The canonical SMILES for 3-imidazo[1,2-a]pyridin-6-yl-2-methyl-4-propan-2-yl-7H-pyrazolo[3,4-d]pyrimidin-6-one is CC(C)c1nc(=O)[nH]c2nn(C)c(-c3ccc4nccn4c3)c12.
What is the InChIKey of 3-imidazo[1,2-a]pyridin-6-yl-2-methyl-4-propan-2-yl-7H-pyrazolo[3,4-d]pyrimidin-6-one?
The InChIKey is YDCWDZUHGJFWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c1-9(2)13-12-14(21(3)20-15(12)19-16(23)18-13)10-4-5-11-17-6-7-22(11)8-10/h4-9H,1-3H3,(H,19,20,23).
What are the key properties of 3-imidazo[1,2-a]pyridin-6-yl-2-methyl-4-propan-2-yl-7H-pyrazolo[3,4-d]pyrimidin-6-one?
3-imidazo[1,2-a]pyridin-6-yl-2-methyl-4-propan-2-yl-7H-pyrazolo[3,4-d]pyrimidin-6-one has a molecular weight of 308.35 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazo[1,2-a]pyridin-6-yl-2-methyl-4-propan-2-yl-7H-pyrazolo[3,4-d]pyrimidin-6-one is sourced from PubChem (CID 136930886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).