4-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide

C24H21N5O4 — CID 24684874

IUPAC4-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
SMILESCC(NC(=O)c1cc(-c2ccccc2)nc2c(C(N)=O)ncn12)c1ccc2c(c1)OCCO2
InChIInChI=1S/C24H21N5O4/c1-14(16-7-8-19-20(11-16)33-10-9-32-19)27-24(31)18-12-17(15-5-3-2-4-6-15)28-23-21(22(25)30)26-13-29(18)23/h2-8,11-14H,9-10H2,1H3,(H2,25,30)(H,27,31)
InChIKeyXBCYKCUICRRIOK-UHFFFAOYSA-N
MW443.46 g/mol
LogP2.76
Rot. Bonds5

About 4-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide

4-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide (PubChem CID 24684874) has the molecular formula C24H21N5O4 and a molecular weight of 443.46 g/mol. Its IUPAC name is 4-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide.

Molecular Properties

Compound Name4-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
PubChem CID24684874
Molecular FormulaC24H21N5O4
Molecular Weight443.46 g/mol
Exact Mass443.16
IUPAC Name4-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
SMILESCC(NC(=O)c1cc(-c2ccccc2)nc2c(C(N)=O)ncn12)c1ccc2c(c1)OCCO2
InChIInChI=1S/C24H21N5O4/c1-14(16-7-8-19-20(11-16)33-10-9-32-19)27-24(31)18-12-17(15-5-3-2-4-6-15)28-23-21(22(25)30)26-13-29(18)23/h2-8,11-14H,9-10H2,1H3,(H2,25,30)(H,27,31)
InChIKeyXBCYKCUICRRIOK-UHFFFAOYSA-N
XLogP2.76
TPSA120.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.46
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 24631830
2-phenyl-4-N-[(1S)-1-thiophen-2-ylethyl]imidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 32543144
methyl 3-[(8-carbamoyl-2-phenylimidazo[1,5-a]pyrimidine-4-carbonyl)amino]-3-phenylpropanoate
CID 24631890
4-N-(3,4-dimethylphenyl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 25358211
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-2-carboxamide
CID 18158025
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-phenyltriazole-4-carboxamide
CID 43067824
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 18114880
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 39911913
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 51296666
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylquinoline-4-carboxamide
CID 40811970
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenoxyacetamide
CID 92540665
N-[(1R)-1-[4-(diaminomethylideneamino)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 155537379

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide?
The IUPAC name of 4-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide (CID 24684874) is 4-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide.
What is the SMILES notation for 4-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide?
The canonical SMILES for 4-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide is CC(NC(=O)c1cc(-c2ccccc2)nc2c(C(N)=O)ncn12)c1ccc2c(c1)OCCO2.
What is the InChIKey of 4-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide?
The InChIKey is XBCYKCUICRRIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O4/c1-14(16-7-8-19-20(11-16)33-10-9-32-19)27-24(31)18-12-17(15-5-3-2-4-6-15)28-23-21(22(25)30)26-13-29(18)23/h2-8,11-14H,9-10H2,1H3,(H2,25,30)(H,27,31).
What are the key properties of 4-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide?
4-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide has a molecular weight of 443.46 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide is sourced from PubChem (CID 24684874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).