3-[4-[4-(oxan-4-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

C24H25F3N8O — CID 139344596

IUPAC3-[4-[4-(oxan-4-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESFC(F)(F)c1ccc2ncc(-c3nccc(N4CCN(C5CCOCC5)C(c5cn[nH]c5)C4)n3)n2c1
InChIInChI=1S/C24H25F3N8O/c25-24(26,27)17-1-2-21-29-13-19(35(21)14-17)23-28-6-3-22(32-23)33-7-8-34(18-4-9-36-10-5-18)20(15-33)16-11-30-31-12-16/h1-3,6,11-14,18,20H,4-5,7-10,15H2,(H,30,31)
InChIKeyUYZOBBFJTCUHEW-UHFFFAOYSA-N
MW498.51 g/mol
LogP3.58
Rot. Bonds4

About 3-[4-[4-(oxan-4-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

3-[4-[4-(oxan-4-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 139344596) has the molecular formula C24H25F3N8O and a molecular weight of 498.51 g/mol. Its IUPAC name is 3-[4-[4-(oxan-4-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[4-[4-(oxan-4-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID139344596
Molecular FormulaC24H25F3N8O
Molecular Weight498.51 g/mol
Exact Mass498.21
IUPAC Name3-[4-[4-(oxan-4-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESFC(F)(F)c1ccc2ncc(-c3nccc(N4CCN(C5CCOCC5)C(c5cn[nH]c5)C4)n3)n2c1
InChIInChI=1S/C24H25F3N8O/c25-24(26,27)17-1-2-21-29-13-19(35(21)14-17)23-28-6-3-22(32-23)33-7-8-34(18-4-9-36-10-5-18)20(15-33)16-11-30-31-12-16/h1-3,6,11-14,18,20H,4-5,7-10,15H2,(H,30,31)
InChIKeyUYZOBBFJTCUHEW-UHFFFAOYSA-N
XLogP3.58
TPSA87.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.51
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(oxan-4-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-[4-[4-(oxan-4-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 139344596) is 3-[4-[4-(oxan-4-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[4-[4-(oxan-4-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[4-[4-(oxan-4-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is FC(F)(F)c1ccc2ncc(-c3nccc(N4CCN(C5CCOCC5)C(c5cn[nH]c5)C4)n3)n2c1.
What is the InChIKey of 3-[4-[4-(oxan-4-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is UYZOBBFJTCUHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N8O/c25-24(26,27)17-1-2-21-29-13-19(35(21)14-17)23-28-6-3-22(32-23)33-7-8-34(18-4-9-36-10-5-18)20(15-33)16-11-30-31-12-16/h1-3,6,11-14,18,20H,4-5,7-10,15H2,(H,30,31).
What are the key properties of 3-[4-[4-(oxan-4-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
3-[4-[4-(oxan-4-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 498.51 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(oxan-4-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 139344596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).