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

C23H21F5N8 — CID 139344655

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

3-[4-[4-[(2,2-difluorocyclopropyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 139344655) has the molecular formula C23H21F5N8 and a molecular weight of 504.47 g/mol. Its IUPAC name is 3-[4-[4-[(2,2-difluorocyclopropyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: 3-[4-[4-[(2,2-difluorocyclopropyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
• PubChem CID: 139344655
• Molecular Formula: C23H21F5N8
• Molecular Weight: 504.47 g/mol
• Exact Mass: 504.18
• IUPAC Name: 3-[4-[4-[(2,2-difluorocyclopropyl)methyl]-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(CC5CC5(F)F)C(c5cn[nH]c5)C4)n3)n2c1
• InChI: InChI=1S/C23H21F5N8/c24-22(25)7-16(22)11-34-5-6-35(13-18(34)14-8-31-32-9-14)20-3-4-29-21(33-20)17-10-30-19-2-1-15(12-36(17)19)23(26,27)28/h1-4,8-10,12,16,18H,5-7,11,13H2,(H,31,32)
• InChIKey: JZNIGBOQPKSSSC-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 78.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.47
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[(2,2-difluorocyclopropyl)methyl]-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-[(2,2-difluorocyclopropyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 139344655) is 3-[4-[4-[(2,2-difluorocyclopropyl)methyl]-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-[(2,2-difluorocyclopropyl)methyl]-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-[(2,2-difluorocyclopropyl)methyl]-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(CC5CC5(F)F)C(c5cn[nH]c5)C4)n3)n2c1.

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

The InChIKey is JZNIGBOQPKSSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F5N8/c24-22(25)7-16(22)11-34-5-6-35(13-18(34)14-8-31-32-9-14)20-3-4-29-21(33-20)17-10-30-19-2-1-15(12-36(17)19)23(26,27)28/h1-4,8-10,12,16,18H,5-7,11,13H2,(H,31,32).

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

3-[4-[4-[(2,2-difluorocyclopropyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 504.47 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[4-[(2,2-difluorocyclopropyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 139344655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).