3-[4-(azepan-1-yl)pyrimidin-2-yl]-6-(difluoromethyl)imidazo[1,2-a]pyrazine;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;6-(difluoromethyl)-3-[4-[3-(oxan-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-(difluoromethyl)-3-(4-piperidin-1-ylpyrimidin-2-yl)imidazo[1,2-a]pyrazine

C68H70F8N24O2 — CID 158218153

About 3-[4-(azepan-1-yl)pyrimidin-2-yl]-6-(difluoromethyl)imidazo[1,2-a]pyrazine;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;6-(difluoromethyl)-3-[4-[3-(oxan-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-(difluoromethyl)-3-(4-piperidin-1-ylpyrimidin-2-yl)imidazo[1,2-a]pyrazine

3-[4-(azepan-1-yl)pyrimidin-2-yl]-6-(difluoromethyl)imidazo[1,2-a]pyrazine;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;6-(difluoromethyl)-3-[4-[3-(oxan-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-(difluoromethyl)-3-(4-piperidin-1-ylpyrimidin-2-yl)imidazo[1,2-a]pyrazine (PubChem CID 158218153) has the molecular formula C68H70F8N24O2 and a molecular weight of 1407.46 g/mol. Its IUPAC name is 3-[4-(azepan-1-yl)pyrimidin-2-yl]-6-(difluoromethyl)imidazo[1,2-a]pyrazine;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;6-(difluoromethyl)-3-[4-[3-(oxan-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-(difluoromethyl)-3-(4-piperidin-1-ylpyrimidin-2-yl)imidazo[1,2-a]pyrazine.

Molecular Properties

• Compound Name: 3-[4-(azepan-1-yl)pyrimidin-2-yl]-6-(difluoromethyl)imidazo[1,2-a]pyrazine;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;6-(difluoromethyl)-3-[4-[3-(oxan-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-(difluoromethyl)-3-(4-piperidin-1-ylpyrimidin-2-yl)imidazo[1,2-a]pyrazine
• PubChem CID: 158218153
• Molecular Formula: C68H70F8N24O2
• Molecular Weight: 1407.46 g/mol
• Exact Mass: 1406.60
• IUPAC Name: 3-[4-(azepan-1-yl)pyrimidin-2-yl]-6-(difluoromethyl)imidazo[1,2-a]pyrazine;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;6-(difluoromethyl)-3-[4-[3-(oxan-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-(difluoromethyl)-3-(4-piperidin-1-ylpyrimidin-2-yl)imidazo[1,2-a]pyrazine
• SMILES: FC(F)c1cn2c(-c3nccc(N4CCC(C5CCOCC5)C4)n3)cnc2cn1.FC(F)c1cn2c(-c3nccc(N4CCCCC4)n3)cnc2cn1.FC(F)c1cn2c(-c3nccc(N4CCCCCC4)n3)cnc2cn1.FC(F)c1cn2c(-c3nccc(N4CCOCC4)n3)cnc2cn1
• InChI: InChI=1S/C20H22F2N6O.C17H18F2N6.C16H16F2N6.C15H14F2N6O/c21-19(22)15-12-28-16(9-25-18(28)10-24-15)20-23-5-1-17(26-20)27-6-2-14(11-27)13-3-7-29-8-4-13;18-16(19)12-11-25-13(9-22-15(25)10-21-12)17-20-6-5-14(23-17)24-7-3-1-2-4-8-24;17-15(18)11-10-24-12(8-21-14(24)9-20-11)16-19-5-4-13(22-16)23-6-2-1-3-7-23;16-14(17)10-9-23-11(7-20-13(23)8-19-10)15-18-2-1-12(21-15)22-3-5-24-6-4-22/h1,5,9-10,12-14,19H,2-4,6-8,11H2;5-6,9-11,16H,1-4,7-8H2;4-5,8-10,15H,1-3,6-7H2;1-2,7-9,14H,3-6H2
• InChIKey: GCXMGXPJQZZIMF-UHFFFAOYSA-N
• XLogP: 11.96
• TPSA: 255.30 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 13
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1407.46
LogP ≤ 5	11.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 3-[4-(azepan-1-yl)pyrimidin-2-yl]-6-(difluoromethyl)imidazo[1,2-a]pyrazine;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;6-(difluoromethyl)-3-[4-[3-(oxan-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-(difluoromethyl)-3-(4-piperidin-1-ylpyrimidin-2-yl)imidazo[1,2-a]pyrazine?

The IUPAC name of 3-[4-(azepan-1-yl)pyrimidin-2-yl]-6-(difluoromethyl)imidazo[1,2-a]pyrazine;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;6-(difluoromethyl)-3-[4-[3-(oxan-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-(difluoromethyl)-3-(4-piperidin-1-ylpyrimidin-2-yl)imidazo[1,2-a]pyrazine (CID 158218153) is 3-[4-(azepan-1-yl)pyrimidin-2-yl]-6-(difluoromethyl)imidazo[1,2-a]pyrazine;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;6-(difluoromethyl)-3-[4-[3-(oxan-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-(difluoromethyl)-3-(4-piperidin-1-ylpyrimidin-2-yl)imidazo[1,2-a]pyrazine.

What is the SMILES notation for 3-[4-(azepan-1-yl)pyrimidin-2-yl]-6-(difluoromethyl)imidazo[1,2-a]pyrazine;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;6-(difluoromethyl)-3-[4-[3-(oxan-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-(difluoromethyl)-3-(4-piperidin-1-ylpyrimidin-2-yl)imidazo[1,2-a]pyrazine?

The canonical SMILES for 3-[4-(azepan-1-yl)pyrimidin-2-yl]-6-(difluoromethyl)imidazo[1,2-a]pyrazine;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;6-(difluoromethyl)-3-[4-[3-(oxan-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-(difluoromethyl)-3-(4-piperidin-1-ylpyrimidin-2-yl)imidazo[1,2-a]pyrazine is FC(F)c1cn2c(-c3nccc(N4CCC(C5CCOCC5)C4)n3)cnc2cn1.FC(F)c1cn2c(-c3nccc(N4CCCCC4)n3)cnc2cn1.FC(F)c1cn2c(-c3nccc(N4CCCCCC4)n3)cnc2cn1.FC(F)c1cn2c(-c3nccc(N4CCOCC4)n3)cnc2cn1.

What is the InChIKey of 3-[4-(azepan-1-yl)pyrimidin-2-yl]-6-(difluoromethyl)imidazo[1,2-a]pyrazine;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;6-(difluoromethyl)-3-[4-[3-(oxan-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-(difluoromethyl)-3-(4-piperidin-1-ylpyrimidin-2-yl)imidazo[1,2-a]pyrazine?

The InChIKey is GCXMGXPJQZZIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N6O.C17H18F2N6.C16H16F2N6.C15H14F2N6O/c21-19(22)15-12-28-16(9-25-18(28)10-24-15)20-23-5-1-17(26-20)27-6-2-14(11-27)13-3-7-29-8-4-13;18-16(19)12-11-25-13(9-22-15(25)10-21-12)17-20-6-5-14(23-17)24-7-3-1-2-4-8-24;17-15(18)11-10-24-12(8-21-14(24)9-20-11)16-19-5-4-13(22-16)23-6-2-1-3-7-23;16-14(17)10-9-23-11(7-20-13(23)8-19-10)15-18-2-1-12(21-15)22-3-5-24-6-4-22/h1,5,9-10,12-14,19H,2-4,6-8,11H2;5-6,9-11,16H,1-4,7-8H2;4-5,8-10,15H,1-3,6-7H2;1-2,7-9,14H,3-6H2.

What are the key properties of 3-[4-(azepan-1-yl)pyrimidin-2-yl]-6-(difluoromethyl)imidazo[1,2-a]pyrazine;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;6-(difluoromethyl)-3-[4-[3-(oxan-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-(difluoromethyl)-3-(4-piperidin-1-ylpyrimidin-2-yl)imidazo[1,2-a]pyrazine?

3-[4-(azepan-1-yl)pyrimidin-2-yl]-6-(difluoromethyl)imidazo[1,2-a]pyrazine;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;6-(difluoromethyl)-3-[4-[3-(oxan-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-(difluoromethyl)-3-(4-piperidin-1-ylpyrimidin-2-yl)imidazo[1,2-a]pyrazine has a molecular weight of 1407.46 g/mol, XLogP of 11.96, 13 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(azepan-1-yl)pyrimidin-2-yl]-6-(difluoromethyl)imidazo[1,2-a]pyrazine;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;6-(difluoromethyl)-3-[4-[3-(oxan-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-(difluoromethyl)-3-(4-piperidin-1-ylpyrimidin-2-yl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 158218153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).