2-phenyl-4-N-(3-phenylmethoxypropyl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide

C24H23N5O3 — CID 24685185

IUPAC2-phenyl-4-N-(3-phenylmethoxypropyl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide
SMILESNC(=O)c1ncn2c(C(=O)NCCCOCc3ccccc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C24H23N5O3/c25-22(30)21-23-28-19(18-10-5-2-6-11-18)14-20(29(23)16-27-21)24(31)26-12-7-13-32-15-17-8-3-1-4-9-17/h1-6,8-11,14,16H,7,12-13,15H2,(H2,25,30)(H,26,31)
InChIKeyKOVWEOBVVMLRED-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.83
Rot. Bonds9

About 2-phenyl-4-N-(3-phenylmethoxypropyl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide

2-phenyl-4-N-(3-phenylmethoxypropyl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide (PubChem CID 24685185) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 2-phenyl-4-N-(3-phenylmethoxypropyl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide.

Molecular Properties

Compound Name2-phenyl-4-N-(3-phenylmethoxypropyl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide
PubChem CID24685185
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name2-phenyl-4-N-(3-phenylmethoxypropyl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide
SMILESNC(=O)c1ncn2c(C(=O)NCCCOCc3ccccc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C24H23N5O3/c25-22(30)21-23-28-19(18-10-5-2-6-11-18)14-20(29(23)16-27-21)24(31)26-12-7-13-32-15-17-8-3-1-4-9-17/h1-6,8-11,14,16H,7,12-13,15H2,(H2,25,30)(H,26,31)
InChIKeyKOVWEOBVVMLRED-UHFFFAOYSA-N
XLogP2.83
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-N-(3-cyclohexyloxypropyl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 25330819
2-phenyl-4-N-(pyridin-2-ylmethyl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 24631763
2-phenyl-4-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 24631856
4-N-(3,4-dimethylphenyl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 25358211
2-phenyl-4-N-[(1S)-1-thiophen-2-ylethyl]imidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 32543144
4-N-[2-(ethylamino)ethyl]-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 119507404
4-N-(4-methyl-1,3-benzothiazol-2-yl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 24649876
4-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 24631830
4-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 24631899
N-(3-phenylmethoxypropyl)benzamide
CID 60701514
3-cyclopropyl-1-phenyl-N-(3-phenylmethoxypropyl)pyrazole-5-carboxamide
CID 41365797
4-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 24684874

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-N-(3-phenylmethoxypropyl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide?
The IUPAC name of 2-phenyl-4-N-(3-phenylmethoxypropyl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide (CID 24685185) is 2-phenyl-4-N-(3-phenylmethoxypropyl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide.
What is the SMILES notation for 2-phenyl-4-N-(3-phenylmethoxypropyl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide?
The canonical SMILES for 2-phenyl-4-N-(3-phenylmethoxypropyl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide is NC(=O)c1ncn2c(C(=O)NCCCOCc3ccccc3)cc(-c3ccccc3)nc12.
What is the InChIKey of 2-phenyl-4-N-(3-phenylmethoxypropyl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide?
The InChIKey is KOVWEOBVVMLRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c25-22(30)21-23-28-19(18-10-5-2-6-11-18)14-20(29(23)16-27-21)24(31)26-12-7-13-32-15-17-8-3-1-4-9-17/h1-6,8-11,14,16H,7,12-13,15H2,(H2,25,30)(H,26,31).
What are the key properties of 2-phenyl-4-N-(3-phenylmethoxypropyl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide?
2-phenyl-4-N-(3-phenylmethoxypropyl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide has a molecular weight of 429.48 g/mol, XLogP of 2.83, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-N-(3-phenylmethoxypropyl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide is sourced from PubChem (CID 24685185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).