4-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide

C23H20FN5O3 — CID 24631830

IUPAC4-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
SMILESCOc1ccc(C(C)NC(=O)c2cc(-c3ccccc3)nc3c(C(N)=O)ncn23)cc1F
InChIInChI=1S/C23H20FN5O3/c1-13(15-8-9-19(32-2)16(24)10-15)27-23(31)18-11-17(14-6-4-3-5-7-14)28-22-20(21(25)30)26-12-29(18)22/h3-13H,1-2H3,(H2,25,30)(H,27,31)
InChIKeyNTWGKXMIBNWENC-UHFFFAOYSA-N
MW433.44 g/mol
LogP3.13
Rot. Bonds6

About 4-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide

4-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide (PubChem CID 24631830) has the molecular formula C23H20FN5O3 and a molecular weight of 433.44 g/mol. Its IUPAC name is 4-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide.

Molecular Properties

Compound Name4-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
PubChem CID24631830
Molecular FormulaC23H20FN5O3
Molecular Weight433.44 g/mol
Exact Mass433.16
IUPAC Name4-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
SMILESCOc1ccc(C(C)NC(=O)c2cc(-c3ccccc3)nc3c(C(N)=O)ncn23)cc1F
InChIInChI=1S/C23H20FN5O3/c1-13(15-8-9-19(32-2)16(24)10-15)27-23(31)18-11-17(14-6-4-3-5-7-14)28-22-20(21(25)30)26-12-29(18)22/h3-13H,1-2H3,(H2,25,30)(H,27,31)
InChIKeyNTWGKXMIBNWENC-UHFFFAOYSA-N
XLogP3.13
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 24684874
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
4-N-[4-(difluoromethoxy)phenyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 25342095
2-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-phenylpyrimidine-5-carboxamide
CID 74234846
4-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 24631899
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide
CID 2220812
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide
CID 112798327
3-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 104741328
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 9051371
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 18200859

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide?
The IUPAC name of 4-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide (CID 24631830) is 4-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide.
What is the SMILES notation for 4-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide?
The canonical SMILES for 4-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide is COc1ccc(C(C)NC(=O)c2cc(-c3ccccc3)nc3c(C(N)=O)ncn23)cc1F.
What is the InChIKey of 4-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide?
The InChIKey is NTWGKXMIBNWENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O3/c1-13(15-8-9-19(32-2)16(24)10-15)27-23(31)18-11-17(14-6-4-3-5-7-14)28-22-20(21(25)30)26-12-29(18)22/h3-13H,1-2H3,(H2,25,30)(H,27,31).
What are the key properties of 4-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide?
4-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide has a molecular weight of 433.44 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide is sourced from PubChem (CID 24631830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).