7-[1-methyl-7-(triazol-1-yl)imidazo[1,5-c]pyrimidin-3-yl]-1-phenylheptan-1-one

C22H24N6O — CID 164667947

IUPAC7-[1-methyl-7-(triazol-1-yl)imidazo[1,5-c]pyrimidin-3-yl]-1-phenylheptan-1-one
SMILESCc1nc(CCCCCCC(=O)c2ccccc2)n2cnc(-n3ccnn3)cc12
InChIInChI=1S/C22H24N6O/c1-17-19-15-22(28-14-13-24-26-28)23-16-27(19)21(25-17)12-8-3-2-7-11-20(29)18-9-5-4-6-10-18/h4-6,9-10,13-16H,2-3,7-8,11-12H2,1H3
InChIKeyRLNQMMUPSIFUGJ-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.99
Rot. Bonds9

About 7-[1-methyl-7-(triazol-1-yl)imidazo[1,5-c]pyrimidin-3-yl]-1-phenylheptan-1-one

7-[1-methyl-7-(triazol-1-yl)imidazo[1,5-c]pyrimidin-3-yl]-1-phenylheptan-1-one (PubChem CID 164667947) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 7-[1-methyl-7-(triazol-1-yl)imidazo[1,5-c]pyrimidin-3-yl]-1-phenylheptan-1-one.

Molecular Properties

Compound Name7-[1-methyl-7-(triazol-1-yl)imidazo[1,5-c]pyrimidin-3-yl]-1-phenylheptan-1-one
PubChem CID164667947
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name7-[1-methyl-7-(triazol-1-yl)imidazo[1,5-c]pyrimidin-3-yl]-1-phenylheptan-1-one
SMILESCc1nc(CCCCCCC(=O)c2ccccc2)n2cnc(-n3ccnn3)cc12
InChIInChI=1S/C22H24N6O/c1-17-19-15-22(28-14-13-24-26-28)23-16-27(19)21(25-17)12-8-3-2-7-11-20(29)18-9-5-4-6-10-18/h4-6,9-10,13-16H,2-3,7-8,11-12H2,1H3
InChIKeyRLNQMMUPSIFUGJ-UHFFFAOYSA-N
XLogP3.99
TPSA77.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,15-diphenylpentadecane-1,15-dione
CID 159981687
7-[2-(6-aminododecylamino)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenylheptan-1-one
CID 21147119
1-(2-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)-7-phenylheptan-1-one
CID 24948917
1-phenyloctadecane-1,17-dione
CID 70545901
1-phenylheptadecan-1-one
CID 577626
1-phenyldodecane-1,11-dione
CID 13147766
N-(4,6-dimethylpyrimidin-2-yl)-5-oxo-5-phenylpentanamide
CID 108807515
2-(4-methylimidazo[4,5-c]pyridin-1-yl)-1-phenylethanone
CID 57097351
1-phenylheptane-1,6-dione
CID 11333176
12-hydroxy-1-phenyldodecan-1-one
CID 11482778
3-(2-ethylimidazol-1-yl)-1-phenylpropan-1-one
CID 116691859
4-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]-1-phenylbutan-1-one
CID 72907845

Frequently Asked Questions

What is the IUPAC name of 7-[1-methyl-7-(triazol-1-yl)imidazo[1,5-c]pyrimidin-3-yl]-1-phenylheptan-1-one?
The IUPAC name of 7-[1-methyl-7-(triazol-1-yl)imidazo[1,5-c]pyrimidin-3-yl]-1-phenylheptan-1-one (CID 164667947) is 7-[1-methyl-7-(triazol-1-yl)imidazo[1,5-c]pyrimidin-3-yl]-1-phenylheptan-1-one.
What is the SMILES notation for 7-[1-methyl-7-(triazol-1-yl)imidazo[1,5-c]pyrimidin-3-yl]-1-phenylheptan-1-one?
The canonical SMILES for 7-[1-methyl-7-(triazol-1-yl)imidazo[1,5-c]pyrimidin-3-yl]-1-phenylheptan-1-one is Cc1nc(CCCCCCC(=O)c2ccccc2)n2cnc(-n3ccnn3)cc12.
What is the InChIKey of 7-[1-methyl-7-(triazol-1-yl)imidazo[1,5-c]pyrimidin-3-yl]-1-phenylheptan-1-one?
The InChIKey is RLNQMMUPSIFUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-17-19-15-22(28-14-13-24-26-28)23-16-27(19)21(25-17)12-8-3-2-7-11-20(29)18-9-5-4-6-10-18/h4-6,9-10,13-16H,2-3,7-8,11-12H2,1H3.
What are the key properties of 7-[1-methyl-7-(triazol-1-yl)imidazo[1,5-c]pyrimidin-3-yl]-1-phenylheptan-1-one?
7-[1-methyl-7-(triazol-1-yl)imidazo[1,5-c]pyrimidin-3-yl]-1-phenylheptan-1-one has a molecular weight of 388.48 g/mol, XLogP of 3.99, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-methyl-7-(triazol-1-yl)imidazo[1,5-c]pyrimidin-3-yl]-1-phenylheptan-1-one is sourced from PubChem (CID 164667947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).