4-[(2-isoquinolin-5-ylimidazol-1-yl)methyl]-1H-pyrimidin-6-one

C17H13N5O — CID 166624407

IUPAC4-[(2-isoquinolin-5-ylimidazol-1-yl)methyl]-1H-pyrimidin-6-one
SMILESO=c1cc(Cn2ccnc2-c2cccc3cnccc23)nc[nH]1
InChIInChI=1S/C17H13N5O/c23-16-8-13(20-11-21-16)10-22-7-6-19-17(22)15-3-1-2-12-9-18-5-4-14(12)15/h1-9,11H,10H2,(H,20,21,23)
InChIKeyFETMHRQKEDNXFB-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.23
Rot. Bonds3

About 4-[(2-isoquinolin-5-ylimidazol-1-yl)methyl]-1H-pyrimidin-6-one

4-[(2-isoquinolin-5-ylimidazol-1-yl)methyl]-1H-pyrimidin-6-one (PubChem CID 166624407) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is 4-[(2-isoquinolin-5-ylimidazol-1-yl)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-isoquinolin-5-ylimidazol-1-yl)methyl]-1H-pyrimidin-6-one
PubChem CID166624407
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC Name4-[(2-isoquinolin-5-ylimidazol-1-yl)methyl]-1H-pyrimidin-6-one
SMILESO=c1cc(Cn2ccnc2-c2cccc3cnccc23)nc[nH]1
InChIInChI=1S/C17H13N5O/c23-16-8-13(20-11-21-16)10-22-7-6-19-17(22)15-3-1-2-12-9-18-5-4-14(12)15/h1-9,11H,10H2,(H,20,21,23)
InChIKeyFETMHRQKEDNXFB-UHFFFAOYSA-N
XLogP2.23
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-yl]isoquinoline
CID 146039872
methyl 2-[4-[1-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]imidazol-2-yl]phenyl]benzoate
CID 165417178
5-isoquinolin-5-yl-3-methyl-1H-pyridin-2-one
CID 83131231
(3-isoquinolin-5-yl-4-methylphenyl)methanamine
CID 105408745
5-isoquinolin-5-ylthiophen-2-amine
CID 164918805
4-[[2-[1-(pyridin-4-ylmethyl)imidazol-2-yl]imidazol-1-yl]methyl]pyridine
CID 122395602
5-pyrimidin-5-ylisoquinoline
CID 141337488
3-chloro-5-isoquinolin-5-ylbenzoic acid
CID 107957193
5-isoquinolin-5-ylpyridine-3-carboxylic acid
CID 56828979
2-isoquinolin-5-ylaniline
CID 62812627
3-isoquinolin-5-ylpyridine-2-carboxylic acid
CID 107525025
3-isoquinolin-5-ylbenzaldehyde
CID 62812454

Frequently Asked Questions

What is the IUPAC name of 4-[(2-isoquinolin-5-ylimidazol-1-yl)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-isoquinolin-5-ylimidazol-1-yl)methyl]-1H-pyrimidin-6-one (CID 166624407) is 4-[(2-isoquinolin-5-ylimidazol-1-yl)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-isoquinolin-5-ylimidazol-1-yl)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-isoquinolin-5-ylimidazol-1-yl)methyl]-1H-pyrimidin-6-one is O=c1cc(Cn2ccnc2-c2cccc3cnccc23)nc[nH]1.
What is the InChIKey of 4-[(2-isoquinolin-5-ylimidazol-1-yl)methyl]-1H-pyrimidin-6-one?
The InChIKey is FETMHRQKEDNXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c23-16-8-13(20-11-21-16)10-22-7-6-19-17(22)15-3-1-2-12-9-18-5-4-14(12)15/h1-9,11H,10H2,(H,20,21,23).
What are the key properties of 4-[(2-isoquinolin-5-ylimidazol-1-yl)methyl]-1H-pyrimidin-6-one?
4-[(2-isoquinolin-5-ylimidazol-1-yl)methyl]-1H-pyrimidin-6-one has a molecular weight of 303.33 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-isoquinolin-5-ylimidazol-1-yl)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 166624407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).