10-benzoyl-3H-pyrimido[5,4-a]indolizin-4-one

C17H11N3O2 — CID 135456736

IUPAC10-benzoyl-3H-pyrimido[5,4-a]indolizin-4-one
SMILESO=C(c1ccccc1)c1c2nc[nH]c(=O)c2c2ccccn12
InChIInChI=1S/C17H11N3O2/c21-16(11-6-2-1-3-7-11)15-14-13(17(22)19-10-18-14)12-8-4-5-9-20(12)15/h1-10H,(H,18,19,22)
InChIKeyYFHAIDLPXXOOLF-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.41
Rot. Bonds2

About 10-benzoyl-3H-pyrimido[5,4-a]indolizin-4-one

10-benzoyl-3H-pyrimido[5,4-a]indolizin-4-one (PubChem CID 135456736) has the molecular formula C17H11N3O2 and a molecular weight of 289.29 g/mol. Its IUPAC name is 10-benzoyl-3H-pyrimido[5,4-a]indolizin-4-one.

Molecular Properties

Compound Name10-benzoyl-3H-pyrimido[5,4-a]indolizin-4-one
PubChem CID135456736
Molecular FormulaC17H11N3O2
Molecular Weight289.29 g/mol
Exact Mass289.09
IUPAC Name10-benzoyl-3H-pyrimido[5,4-a]indolizin-4-one
SMILESO=C(c1ccccc1)c1c2nc[nH]c(=O)c2c2ccccn12
InChIInChI=1S/C17H11N3O2/c21-16(11-6-2-1-3-7-11)15-14-13(17(22)19-10-18-14)12-8-4-5-9-20(12)15/h1-10H,(H,18,19,22)
InChIKeyYFHAIDLPXXOOLF-UHFFFAOYSA-N
XLogP2.41
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Peldesine
CID 135413525
Piperazine, 1-(1H-indol-3-yloxoacetyl)-4-phenyl-
CID 3054779
2-(2-aminopyrimidin-4-yl)-1-benzyl-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 25190899
2-Amino-3-(4-fluorobenzoyl)indolizine-1-carboxamide
CID 5306648
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(7-pyrazin-2-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethane-1,2-dione
CID 5280236
1-(4-benzoylpiperazin-1-yl)-2-(4-pyrazin-2-yl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)ethane-1,2-dione
CID 59729264
1-(4-benzoylpiperazin-1-yl)-2-[4-(2-pyridyl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]ethane-1,2-dione
CID 59729283
1-(4-benzoylpiperazin-1-yl)-2-[7-(2-pyridyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 5280253
4-(2-phenylacetyl)-N-(4-pyridinylmethyl)-1H-pyrrole-2-carboxamide
CID 1489198
8-Fluoro-5-methyl-3-(pyridin-2-ylmethyl)pyrimido[5,4-b]indol-4-one
CID 1854647
6-methyl-4-oxo-5-phenyl-3-(pyridin-2-ylmethyl)-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 947944
N-(4-acetylphenyl)-4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)benzamide
CID 1354369

Frequently Asked Questions

What is the IUPAC name of 10-benzoyl-3H-pyrimido[5,4-a]indolizin-4-one?
The IUPAC name of 10-benzoyl-3H-pyrimido[5,4-a]indolizin-4-one (CID 135456736) is 10-benzoyl-3H-pyrimido[5,4-a]indolizin-4-one.
What is the SMILES notation for 10-benzoyl-3H-pyrimido[5,4-a]indolizin-4-one?
The canonical SMILES for 10-benzoyl-3H-pyrimido[5,4-a]indolizin-4-one is O=C(c1ccccc1)c1c2nc[nH]c(=O)c2c2ccccn12.
What is the InChIKey of 10-benzoyl-3H-pyrimido[5,4-a]indolizin-4-one?
The InChIKey is YFHAIDLPXXOOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O2/c21-16(11-6-2-1-3-7-11)15-14-13(17(22)19-10-18-14)12-8-4-5-9-20(12)15/h1-10H,(H,18,19,22).
What are the key properties of 10-benzoyl-3H-pyrimido[5,4-a]indolizin-4-one?
10-benzoyl-3H-pyrimido[5,4-a]indolizin-4-one has a molecular weight of 289.29 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzoyl-3H-pyrimido[5,4-a]indolizin-4-one is sourced from PubChem (CID 135456736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).