(4-pyrimidin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]methanone

C23H19F3N6O — CID 134794746

IUPAC(4-pyrimidin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]methanone
SMILESO=C(c1nc(-c2cccc(C(F)(F)F)c2)c2ccccn12)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C23H19F3N6O/c24-23(25,26)17-6-3-5-16(15-17)19-18-7-1-2-10-32(18)20(29-19)21(33)30-11-13-31(14-12-30)22-27-8-4-9-28-22/h1-10,15H,11-14H2
InChIKeyIJJBZNZYUMHMCO-UHFFFAOYSA-N
MW452.44 g/mol
LogP3.77
Rot. Bonds3

About (4-pyrimidin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]methanone

(4-pyrimidin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]methanone (PubChem CID 134794746) has the molecular formula C23H19F3N6O and a molecular weight of 452.44 g/mol. Its IUPAC name is (4-pyrimidin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]methanone.

Molecular Properties

Compound Name(4-pyrimidin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]methanone
PubChem CID134794746
Molecular FormulaC23H19F3N6O
Molecular Weight452.44 g/mol
Exact Mass452.16
IUPAC Name(4-pyrimidin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]methanone
SMILESO=C(c1nc(-c2cccc(C(F)(F)F)c2)c2ccccn12)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C23H19F3N6O/c24-23(25,26)17-6-3-5-16(15-17)19-18-7-1-2-10-32(18)20(29-19)21(33)30-11-13-31(14-12-30)22-27-8-4-9-28-22/h1-10,15H,11-14H2
InChIKeyIJJBZNZYUMHMCO-UHFFFAOYSA-N
XLogP3.77
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.44
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-pyrimidin-2-ylpiperazin-1-yl)-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 15950720
N-prop-2-ynyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-3-carboxamide
CID 134791991
[3,5-bis(trifluoromethyl)phenyl]-[4-[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]piperazin-1-yl]methanone
CID 46081996
(2,3,5,6-tetrafluorophenyl)-[4-[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]piperazin-1-yl]methanone
CID 46082092
N-prop-2-enyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109066856
[4-[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]piperazin-1-yl]-(2,4,5-trifluorophenyl)methanone
CID 46082093
(3-tert-butylimidazo[1,5-a]pyridin-1-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110414706
(4-pyrimidin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]methanone
CID 100816160
(5-bromo-3-pyridinyl)-[4-[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]piperazin-1-yl]methanone
CID 46081681
N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide
CID 134794732
[4-(2-fluorophenyl)-2-(trifluoromethyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 69149809
(2,3,4,5,6-pentafluorophenyl)-[4-[7-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl]methanone
CID 46092841

Frequently Asked Questions

What is the IUPAC name of (4-pyrimidin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]methanone?
The IUPAC name of (4-pyrimidin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]methanone (CID 134794746) is (4-pyrimidin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]methanone.
What is the SMILES notation for (4-pyrimidin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]methanone?
The canonical SMILES for (4-pyrimidin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]methanone is O=C(c1nc(-c2cccc(C(F)(F)F)c2)c2ccccn12)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (4-pyrimidin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]methanone?
The InChIKey is IJJBZNZYUMHMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N6O/c24-23(25,26)17-6-3-5-16(15-17)19-18-7-1-2-10-32(18)20(29-19)21(33)30-11-13-31(14-12-30)22-27-8-4-9-28-22/h1-10,15H,11-14H2.
What are the key properties of (4-pyrimidin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]methanone?
(4-pyrimidin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]methanone has a molecular weight of 452.44 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrimidin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]methanone is sourced from PubChem (CID 134794746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).