4-[[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]-1,3-oxazole

C23H24F3N9O — CID 155922306

IUPAC4-[[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]-1,3-oxazole
SMILESFC(F)(F)c1ccc2ncc(-c3nccc(N4CCN(Cc5cocn5)C(C5CNNC5)C4)n3)n2c1
InChIInChI=1S/C23H24F3N9O/c24-23(25,26)16-1-2-20-28-9-18(35(20)10-16)22-27-4-3-21(32-22)34-6-5-33(11-17-13-36-14-29-17)19(12-34)15-7-30-31-8-15/h1-4,9-10,13-15,19,30-31H,5-8,11-12H2
InChIKeyWQDSEWQNHXCLBN-UHFFFAOYSA-N
MW499.50 g/mol
LogP2.21
Rot. Bonds5

About 4-[[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]-1,3-oxazole

4-[[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]-1,3-oxazole (PubChem CID 155922306) has the molecular formula C23H24F3N9O and a molecular weight of 499.50 g/mol. Its IUPAC name is 4-[[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name4-[[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]-1,3-oxazole
PubChem CID155922306
Molecular FormulaC23H24F3N9O
Molecular Weight499.50 g/mol
Exact Mass499.21
IUPAC Name4-[[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]-1,3-oxazole
SMILESFC(F)(F)c1ccc2ncc(-c3nccc(N4CCN(Cc5cocn5)C(C5CNNC5)C4)n3)n2c1
InChIInChI=1S/C23H24F3N9O/c24-23(25,26)16-1-2-20-28-9-18(35(20)10-16)22-27-4-3-21(32-22)34-6-5-33(11-17-13-36-14-29-17)19(12-34)15-7-30-31-8-15/h1-4,9-10,13-15,19,30-31H,5-8,11-12H2
InChIKeyWQDSEWQNHXCLBN-UHFFFAOYSA-N
XLogP2.21
TPSA99.65 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.50
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-[[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 4-[[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]-1,3-oxazole (CID 155922306) is 4-[[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 4-[[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 4-[[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]-1,3-oxazole is FC(F)(F)c1ccc2ncc(-c3nccc(N4CCN(Cc5cocn5)C(C5CNNC5)C4)n3)n2c1.
What is the InChIKey of 4-[[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]-1,3-oxazole?
The InChIKey is WQDSEWQNHXCLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N9O/c24-23(25,26)16-1-2-20-28-9-18(35(20)10-16)22-27-4-3-21(32-22)34-6-5-33(11-17-13-36-14-29-17)19(12-34)15-7-30-31-8-15/h1-4,9-10,13-15,19,30-31H,5-8,11-12H2.
What are the key properties of 4-[[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]-1,3-oxazole?
4-[[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]-1,3-oxazole has a molecular weight of 499.50 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 155922306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).