3-[4-[(3R)-4-(2-oxaspiro[3.3]heptan-6-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

C25H25F3N8O — CID 139344434

About 3-[4-[(3R)-4-(2-oxaspiro[3.3]heptan-6-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

3-[4-[(3R)-4-(2-oxaspiro[3.3]heptan-6-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 139344434) has the molecular formula C25H25F3N8O and a molecular weight of 510.52 g/mol. Its IUPAC name is 3-[4-[(3R)-4-(2-oxaspiro[3.3]heptan-6-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: 3-[4-[(3R)-4-(2-oxaspiro[3.3]heptan-6-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
• PubChem CID: 139344434
• Molecular Formula: C25H25F3N8O
• Molecular Weight: 510.52 g/mol
• Exact Mass: 510.21
• IUPAC Name: 3-[4-[(3R)-4-(2-oxaspiro[3.3]heptan-6-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
• SMILES: FC(F)(F)c1ccc2ncc(-c3nccc(N4CCN(C5CC6(COC6)C5)[C@H](c5cn[nH]c5)C4)n3)n2c1
• InChI: InChI=1S/C25H25F3N8O/c26-25(27,28)17-1-2-21-30-11-19(36(21)12-17)23-29-4-3-22(33-23)34-5-6-35(18-7-24(8-18)14-37-15-24)20(13-34)16-9-31-32-10-16/h1-4,9-12,18,20H,5-8,13-15H2,(H,31,32)/t20-/m0/s1
• InChIKey: ZZUOWFKVMIBZFR-FQEVSTJZSA-N
• XLogP: 3.58
• TPSA: 87.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.52
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3R)-4-(2-oxaspiro[3.3]heptan-6-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-[(3R)-4-(2-oxaspiro[3.3]heptan-6-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 139344434) is 3-[4-[(3R)-4-(2-oxaspiro[3.3]heptan-6-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-[(3R)-4-(2-oxaspiro[3.3]heptan-6-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-[(3R)-4-(2-oxaspiro[3.3]heptan-6-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(C5CC6(COC6)C5)[C@H](c5cn[nH]c5)C4)n3)n2c1.

What is the InChIKey of 3-[4-[(3R)-4-(2-oxaspiro[3.3]heptan-6-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?

The InChIKey is ZZUOWFKVMIBZFR-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H25F3N8O/c26-25(27,28)17-1-2-21-30-11-19(36(21)12-17)23-29-4-3-22(33-23)34-5-6-35(18-7-24(8-18)14-37-15-24)20(13-34)16-9-31-32-10-16/h1-4,9-12,18,20H,5-8,13-15H2,(H,31,32)/t20-/m0/s1.

What are the key properties of 3-[4-[(3R)-4-(2-oxaspiro[3.3]heptan-6-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?

3-[4-[(3R)-4-(2-oxaspiro[3.3]heptan-6-yl)-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 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[(3R)-4-(2-oxaspiro[3.3]heptan-6-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 139344434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).