6-(difluoromethyl)-3-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-yl]methanesulfonamide;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-methyl-1,4,9-triazaspiro[5.5]undecane;[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol;N-[(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-N-methylmethanesulfonamide

C90H102F10N34O5S2 — CID 159034980

About 6-(difluoromethyl)-3-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-yl]methanesulfonamide;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-methyl-1,4,9-triazaspiro[5.5]undecane;[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol;N-[(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-N-methylmethanesulfonamide

6-(difluoromethyl)-3-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-yl]methanesulfonamide;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-methyl-1,4,9-triazaspiro[5.5]undecane;[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol;N-[(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-N-methylmethanesulfonamide (PubChem CID 159034980) has the molecular formula C90H102F10N34O5S2 and a molecular weight of 1994.15 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-yl]methanesulfonamide;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-methyl-1,4,9-triazaspiro[5.5]undecane;[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol;N-[(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-N-methylmethanesulfonamide.

Molecular Properties

• Compound Name: 6-(difluoromethyl)-3-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-yl]methanesulfonamide;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-methyl-1,4,9-triazaspiro[5.5]undecane;[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol;N-[(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-N-methylmethanesulfonamide
• PubChem CID: 159034980
• Molecular Formula: C90H102F10N34O5S2
• Molecular Weight: 1994.15 g/mol
• Exact Mass: 1992.81
• IUPAC Name: 6-(difluoromethyl)-3-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-yl]methanesulfonamide;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-methyl-1,4,9-triazaspiro[5.5]undecane;[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol;N-[(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-N-methylmethanesulfonamide
• SMILES: CN([C@H]1CCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1)S(C)(=O)=O.CN1CCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CC12CCNCC2.CS(=O)(=O)NC1CCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CC1.C[C@@H]1CCC[C@H](C)N1c1ccnc(-c2cnc3cnc(C(F)F)cn23)n1.OCC1CCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1
• InChI: InChI=1S/C20H24F2N8.C18H21F2N7O2S.C18H20F2N6.C17H19F2N7O2S.C17H18F2N6O/c1-28-8-9-29(13-20(28)3-6-23-7-4-20)16-2-5-24-19(27-16)15-10-26-17-11-25-14(18(21)22)12-30(15)17;1-30(28,29)25-12-3-2-7-26(8-5-12)15-4-6-21-18(24-15)14-9-23-16-10-22-13(17(19)20)11-27(14)16;1-11-4-3-5-12(2)26(11)15-6-7-21-18(24-15)14-8-23-16-9-22-13(17(19)20)10-25(14)16;1-24(29(2,27)28)11-4-6-25(9-11)14-3-5-20-17(23-14)13-7-22-15-8-21-12(16(18)19)10-26(13)15;18-16(19)12-9-25-13(6-22-15(25)7-21-12)17-20-4-3-14(23-17)24-5-1-2-11(8-24)10-26/h2,5,10-12,18,23H,3-4,6-9,13H2,1H3;4,6,9-12,17,25H,2-3,5,7-8H2,1H3;6-12,17H,3-5H2,1-2H3;3,5,7-8,10-11,16H,4,6,9H2,1-2H3;3-4,6-7,9,11,16,26H,1-2,5,8,10H2/t;;11-,12+;11-;/m...0./s1
• InChIKey: JVISIUBPMBTIQU-IDUBOWLOSA-N
• XLogP: 11.85
• TPSA: 415.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 37
• Rotatable Bonds: 20
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1994.15
LogP ≤ 5	11.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-yl]methanesulfonamide;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-methyl-1,4,9-triazaspiro[5.5]undecane;[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol;N-[(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-N-methylmethanesulfonamide?

The IUPAC name of 6-(difluoromethyl)-3-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-yl]methanesulfonamide;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-methyl-1,4,9-triazaspiro[5.5]undecane;[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol;N-[(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-N-methylmethanesulfonamide (CID 159034980) is 6-(difluoromethyl)-3-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-yl]methanesulfonamide;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-methyl-1,4,9-triazaspiro[5.5]undecane;[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol;N-[(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-N-methylmethanesulfonamide.

What is the SMILES notation for 6-(difluoromethyl)-3-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-yl]methanesulfonamide;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-methyl-1,4,9-triazaspiro[5.5]undecane;[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol;N-[(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-N-methylmethanesulfonamide?

The canonical SMILES for 6-(difluoromethyl)-3-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-yl]methanesulfonamide;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-methyl-1,4,9-triazaspiro[5.5]undecane;[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol;N-[(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-N-methylmethanesulfonamide is CN([C@H]1CCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1)S(C)(=O)=O.CN1CCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CC12CCNCC2.CS(=O)(=O)NC1CCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CC1.C[C@@H]1CCC[C@H](C)N1c1ccnc(-c2cnc3cnc(C(F)F)cn23)n1.OCC1CCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1.

What is the InChIKey of 6-(difluoromethyl)-3-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-yl]methanesulfonamide;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-methyl-1,4,9-triazaspiro[5.5]undecane;[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol;N-[(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-N-methylmethanesulfonamide?

The InChIKey is JVISIUBPMBTIQU-IDUBOWLOSA-N. The full InChI is InChI=1S/C20H24F2N8.C18H21F2N7O2S.C18H20F2N6.C17H19F2N7O2S.C17H18F2N6O/c1-28-8-9-29(13-20(28)3-6-23-7-4-20)16-2-5-24-19(27-16)15-10-26-17-11-25-14(18(21)22)12-30(15)17;1-30(28,29)25-12-3-2-7-26(8-5-12)15-4-6-21-18(24-15)14-9-23-16-10-22-13(17(19)20)11-27(14)16;1-11-4-3-5-12(2)26(11)15-6-7-21-18(24-15)14-8-23-16-9-22-13(17(19)20)10-25(14)16;1-24(29(2,27)28)11-4-6-25(9-11)14-3-5-20-17(23-14)13-7-22-15-8-21-12(16(18)19)10-26(13)15;18-16(19)12-9-25-13(6-22-15(25)7-21-12)17-20-4-3-14(23-17)24-5-1-2-11(8-24)10-26/h2,5,10-12,18,23H,3-4,6-9,13H2,1H3;4,6,9-12,17,25H,2-3,5,7-8H2,1H3;6-12,17H,3-5H2,1-2H3;3,5,7-8,10-11,16H,4,6,9H2,1-2H3;3-4,6-7,9,11,16,26H,1-2,5,8,10H2/t;;11-,12+;11-;/m...0./s1.

What are the key properties of 6-(difluoromethyl)-3-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-yl]methanesulfonamide;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-methyl-1,4,9-triazaspiro[5.5]undecane;[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol;N-[(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-N-methylmethanesulfonamide?

6-(difluoromethyl)-3-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-yl]methanesulfonamide;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-methyl-1,4,9-triazaspiro[5.5]undecane;[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol;N-[(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-N-methylmethanesulfonamide has a molecular weight of 1994.15 g/mol, XLogP of 11.85, 20 rotatable bonds, 3 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(difluoromethyl)-3-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-yl]methanesulfonamide;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-methyl-1,4,9-triazaspiro[5.5]undecane;[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol;N-[(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 159034980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).