3-[4-[4-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

C25H25F3N8O — CID 139344424

IUPAC3-[4-[4-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESFC(F)(F)c1ccc2ncc(-c3nccc(N4CCN(CC5C6COCC65)C(c5cn[nH]c5)C4)n3)n2c1
InChIInChI=1S/C25H25F3N8O/c26-25(27,28)16-1-2-22-30-9-20(36(22)10-16)24-29-4-3-23(33-24)35-6-5-34(11-17-18-13-37-14-19(17)18)21(12-35)15-7-31-32-8-15/h1-4,7-10,17-19,21H,5-6,11-14H2,(H,31,32)
InChIKeyRHBOCGNXXYHHII-UHFFFAOYSA-N
MW510.52 g/mol
LogP3.29
Rot. Bonds5

About 3-[4-[4-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

3-[4-[4-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 139344424) has the molecular formula C25H25F3N8O and a molecular weight of 510.52 g/mol. Its IUPAC name is 3-[4-[4-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[4-[4-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID139344424
Molecular FormulaC25H25F3N8O
Molecular Weight510.52 g/mol
Exact Mass510.21
IUPAC Name3-[4-[4-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESFC(F)(F)c1ccc2ncc(-c3nccc(N4CCN(CC5C6COCC65)C(c5cn[nH]c5)C4)n3)n2c1
InChIInChI=1S/C25H25F3N8O/c26-25(27,28)16-1-2-22-30-9-20(36(22)10-16)24-29-4-3-23(33-24)35-6-5-34(11-17-18-13-37-14-19(17)18)21(12-35)15-7-31-32-8-15/h1-4,7-10,17-19,21H,5-6,11-14H2,(H,31,32)
InChIKeyRHBOCGNXXYHHII-UHFFFAOYSA-N
XLogP3.29
TPSA87.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.52
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[4-[4-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-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-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 139344424) is 3-[4-[4-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-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-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-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-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-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(CC5C6COCC65)C(c5cn[nH]c5)C4)n3)n2c1.
What is the InChIKey of 3-[4-[4-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is RHBOCGNXXYHHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N8O/c26-25(27,28)16-1-2-22-30-9-20(36(22)10-16)24-29-4-3-23(33-24)35-6-5-34(11-17-18-13-37-14-19(17)18)21(12-35)15-7-31-32-8-15/h1-4,7-10,17-19,21H,5-6,11-14H2,(H,31,32).
What are the key properties of 3-[4-[4-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
3-[4-[4-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 510.52 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 139344424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).