4-N-[4-(difluoromethoxy)phenyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide

C21H15F2N5O3 — CID 25342095

IUPAC4-N-[4-(difluoromethoxy)phenyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
SMILESNC(=O)c1ncn2c(C(=O)Nc3ccc(OC(F)F)cc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C21H15F2N5O3/c22-21(23)31-14-8-6-13(7-9-14)26-20(30)16-10-15(12-4-2-1-3-5-12)27-19-17(18(24)29)25-11-28(16)19/h1-11,21H,(H2,24,29)(H,26,30)
InChIKeyOAWGDQODVXECDK-UHFFFAOYSA-N
MW423.38 g/mol
LogP3.35
Rot. Bonds6

About 4-N-[4-(difluoromethoxy)phenyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide

4-N-[4-(difluoromethoxy)phenyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide (PubChem CID 25342095) has the molecular formula C21H15F2N5O3 and a molecular weight of 423.38 g/mol. Its IUPAC name is 4-N-[4-(difluoromethoxy)phenyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide.

Molecular Properties

Compound Name4-N-[4-(difluoromethoxy)phenyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
PubChem CID25342095
Molecular FormulaC21H15F2N5O3
Molecular Weight423.38 g/mol
Exact Mass423.11
IUPAC Name4-N-[4-(difluoromethoxy)phenyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
SMILESNC(=O)c1ncn2c(C(=O)Nc3ccc(OC(F)F)cc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C21H15F2N5O3/c22-21(23)31-14-8-6-13(7-9-14)26-20(30)16-10-15(12-4-2-1-3-5-12)27-19-17(18(24)29)25-11-28(16)19/h1-11,21H,(H2,24,29)(H,26,30)
InChIKeyOAWGDQODVXECDK-UHFFFAOYSA-N
XLogP3.35
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.38
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(3,4-dimethylphenyl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 25358211
4-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 24631899
methyl 3-[(8-carbamoyl-2-phenylimidazo[1,5-a]pyrimidine-4-carbonyl)amino]-3-phenylpropanoate
CID 24631890
2-phenyl-4-N-(pyridin-2-ylmethyl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 24631763
2-phenyl-4-N-[(1S)-1-thiophen-2-ylethyl]imidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 32543144
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
N-[4-(difluoromethoxy)phenyl]-2-phenylquinoline-4-carboxamide
CID 2318784
2-N-(4-methylphenyl)-4-phenylimidazo[1,5-a]pyrimidine-2,8-dicarboxamide
CID 167753642
4-[[4-(difluoromethoxy)benzoyl]amino]benzamide
CID 842852
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide
CID 7900022
4-[[4-(difluoromethoxy)benzoyl]amino]-N-naphthalen-1-ylbenzamide
CID 1363649

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(difluoromethoxy)phenyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide?
The IUPAC name of 4-N-[4-(difluoromethoxy)phenyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide (CID 25342095) is 4-N-[4-(difluoromethoxy)phenyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide.
What is the SMILES notation for 4-N-[4-(difluoromethoxy)phenyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide?
The canonical SMILES for 4-N-[4-(difluoromethoxy)phenyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide is NC(=O)c1ncn2c(C(=O)Nc3ccc(OC(F)F)cc3)cc(-c3ccccc3)nc12.
What is the InChIKey of 4-N-[4-(difluoromethoxy)phenyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide?
The InChIKey is OAWGDQODVXECDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N5O3/c22-21(23)31-14-8-6-13(7-9-14)26-20(30)16-10-15(12-4-2-1-3-5-12)27-19-17(18(24)29)25-11-28(16)19/h1-11,21H,(H2,24,29)(H,26,30).
What are the key properties of 4-N-[4-(difluoromethoxy)phenyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide?
4-N-[4-(difluoromethoxy)phenyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide has a molecular weight of 423.38 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(difluoromethoxy)phenyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide is sourced from PubChem (CID 25342095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).