2-phenyl-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]imidazo[1,5-a]pyrimidine-8-carboxamide

C25H21F3N6O2 — CID 24631736

IUPAC2-phenyl-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESNC(=O)c1ncn2c(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc(-c3ccccc3)nc12
InChIInChI=1S/C25H21F3N6O2/c26-25(27,28)17-7-4-8-18(13-17)32-9-11-33(12-10-32)24(36)20-14-19(16-5-2-1-3-6-16)31-23-21(22(29)35)30-15-34(20)23/h1-8,13-15H,9-12H2,(H2,29,35)
InChIKeyINWVZNRCDFOATO-UHFFFAOYSA-N
MW494.48 g/mol
LogP3.48
Rot. Bonds4

About 2-phenyl-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]imidazo[1,5-a]pyrimidine-8-carboxamide

2-phenyl-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]imidazo[1,5-a]pyrimidine-8-carboxamide (PubChem CID 24631736) has the molecular formula C25H21F3N6O2 and a molecular weight of 494.48 g/mol. Its IUPAC name is 2-phenyl-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]imidazo[1,5-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name2-phenyl-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]imidazo[1,5-a]pyrimidine-8-carboxamide
PubChem CID24631736
Molecular FormulaC25H21F3N6O2
Molecular Weight494.48 g/mol
Exact Mass494.17
IUPAC Name2-phenyl-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESNC(=O)c1ncn2c(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc(-c3ccccc3)nc12
InChIInChI=1S/C25H21F3N6O2/c26-25(27,28)17-7-4-8-18(13-17)32-9-11-33(12-10-32)24(36)20-14-19(16-5-2-1-3-6-16)31-23-21(22(29)35)30-15-34(20)23/h1-8,13-15H,9-12H2,(H2,29,35)
InChIKeyINWVZNRCDFOATO-UHFFFAOYSA-N
XLogP3.48
TPSA96.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.48
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 3341823
[1-(3-methylphenyl)-3-phenylpyrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 3632123
[1-(4-nitrophenyl)-3-phenylpyrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 4240570
(6-fluoro-2-phenylquinolin-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 3557816
[1-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 50745756
(2-methyl-4-phenyl-1,3-oxazol-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 71511489
[2-(4-methoxyphenyl)quinolin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 1011234
[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 10410315
pyridin-4-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 2166152
(3-phenylthiophen-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 24513867
(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 126470239
[2-(3-ethoxyphenyl)quinolin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 4141764

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]imidazo[1,5-a]pyrimidine-8-carboxamide?
The IUPAC name of 2-phenyl-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]imidazo[1,5-a]pyrimidine-8-carboxamide (CID 24631736) is 2-phenyl-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]imidazo[1,5-a]pyrimidine-8-carboxamide.
What is the SMILES notation for 2-phenyl-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]imidazo[1,5-a]pyrimidine-8-carboxamide?
The canonical SMILES for 2-phenyl-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]imidazo[1,5-a]pyrimidine-8-carboxamide is NC(=O)c1ncn2c(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc(-c3ccccc3)nc12.
What is the InChIKey of 2-phenyl-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]imidazo[1,5-a]pyrimidine-8-carboxamide?
The InChIKey is INWVZNRCDFOATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N6O2/c26-25(27,28)17-7-4-8-18(13-17)32-9-11-33(12-10-32)24(36)20-14-19(16-5-2-1-3-6-16)31-23-21(22(29)35)30-15-34(20)23/h1-8,13-15H,9-12H2,(H2,29,35).
What are the key properties of 2-phenyl-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]imidazo[1,5-a]pyrimidine-8-carboxamide?
2-phenyl-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]imidazo[1,5-a]pyrimidine-8-carboxamide has a molecular weight of 494.48 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]imidazo[1,5-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 24631736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).