N-[3-(8-benzoylimidazo[1,5-a]pyrimidin-4-yl)phenyl]propanamide

C22H18N4O2 — CID 91171226

IUPACN-[3-(8-benzoylimidazo[1,5-a]pyrimidin-4-yl)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(-c2ccnc3c(C(=O)c4ccccc4)ncn23)c1
InChIInChI=1S/C22H18N4O2/c1-2-19(27)25-17-10-6-9-16(13-17)18-11-12-23-22-20(24-14-26(18)22)21(28)15-7-4-3-5-8-15/h3-14H,2H2,1H3,(H,25,27)
InChIKeyCUNFKXSNXNISEU-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.98
Rot. Bonds5

About N-[3-(8-benzoylimidazo[1,5-a]pyrimidin-4-yl)phenyl]propanamide

N-[3-(8-benzoylimidazo[1,5-a]pyrimidin-4-yl)phenyl]propanamide (PubChem CID 91171226) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-[3-(8-benzoylimidazo[1,5-a]pyrimidin-4-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-[3-(8-benzoylimidazo[1,5-a]pyrimidin-4-yl)phenyl]propanamide
PubChem CID91171226
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC NameN-[3-(8-benzoylimidazo[1,5-a]pyrimidin-4-yl)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(-c2ccnc3c(C(=O)c4ccccc4)ncn23)c1
InChIInChI=1S/C22H18N4O2/c1-2-19(27)25-17-10-6-9-16(13-17)18-11-12-23-22-20(24-14-26(18)22)21(28)15-7-4-3-5-8-15/h3-14H,2H2,1H3,(H,25,27)
InChIKeyCUNFKXSNXNISEU-UHFFFAOYSA-N
XLogP3.98
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[8-(4-fluorobenzoyl)imidazo[1,5-a]pyrimidin-4-yl]phenyl]butane-1-sulfonamide
CID 91304608
N-[4-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]propanamide
CID 13476016
N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-2-bromopropanamide
CID 57281182
2-[3-[8-(4-methylbenzoyl)imidazo[1,5-a]pyrimidin-4-yl]phenyl]pent-4-yne-1-sulfonamide
CID 91469036
N-[2-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]ethyl]propanamide
CID 57280102
N-(3-acetylphenyl)propanamide
CID 903063
3-methyl-N-[3-[3-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]butanamide
CID 11525142
N-(2-phenylpyrimidin-5-yl)propanamide
CID 53014772
2-cyano-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide
CID 168523396
3-(propanoylamino)-N-(1,2,4-triazol-4-yl)benzamide
CID 17309540
1-[3-(2-phenylpyrazol-3-yl)phenyl]propan-1-one
CID 107331042
N-[3-[[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetyl]amino]phenyl]propanamide
CID 1435028

Frequently Asked Questions

What is the IUPAC name of N-[3-(8-benzoylimidazo[1,5-a]pyrimidin-4-yl)phenyl]propanamide?
The IUPAC name of N-[3-(8-benzoylimidazo[1,5-a]pyrimidin-4-yl)phenyl]propanamide (CID 91171226) is N-[3-(8-benzoylimidazo[1,5-a]pyrimidin-4-yl)phenyl]propanamide.
What is the SMILES notation for N-[3-(8-benzoylimidazo[1,5-a]pyrimidin-4-yl)phenyl]propanamide?
The canonical SMILES for N-[3-(8-benzoylimidazo[1,5-a]pyrimidin-4-yl)phenyl]propanamide is CCC(=O)Nc1cccc(-c2ccnc3c(C(=O)c4ccccc4)ncn23)c1.
What is the InChIKey of N-[3-(8-benzoylimidazo[1,5-a]pyrimidin-4-yl)phenyl]propanamide?
The InChIKey is CUNFKXSNXNISEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-2-19(27)25-17-10-6-9-16(13-17)18-11-12-23-22-20(24-14-26(18)22)21(28)15-7-4-3-5-8-15/h3-14H,2H2,1H3,(H,25,27).
What are the key properties of N-[3-(8-benzoylimidazo[1,5-a]pyrimidin-4-yl)phenyl]propanamide?
N-[3-(8-benzoylimidazo[1,5-a]pyrimidin-4-yl)phenyl]propanamide has a molecular weight of 370.41 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(8-benzoylimidazo[1,5-a]pyrimidin-4-yl)phenyl]propanamide is sourced from PubChem (CID 91171226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).