1-[4-[2-[6-(1,1-difluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;(3S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine;[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]-imino-methyl-oxo-λ6-sulfane;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide;6-(difluoromethyl)-3-[4-(3-pyridin-2-ylpyrrolidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine

C87H80F10N32O4S2 — CID 158754320

About 1-[4-[2-[6-(1,1-difluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;(3S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine;[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]-imino-methyl-oxo-λ6-sulfane;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide;6-(difluoromethyl)-3-[4-(3-pyridin-2-ylpyrrolidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine

1-[4-[2-[6-(1,1-difluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;(3S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine;[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]-imino-methyl-oxo-λ6-sulfane;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide;6-(difluoromethyl)-3-[4-(3-pyridin-2-ylpyrrolidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine (PubChem CID 158754320) has the molecular formula C87H80F10N32O4S2 and a molecular weight of 1891.93 g/mol. Its IUPAC name is 1-[4-[2-[6-(1,1-difluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;(3S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine;[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]-imino-methyl-oxo-λ6-sulfane;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide;6-(difluoromethyl)-3-[4-(3-pyridin-2-ylpyrrolidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine.

Molecular Properties

• Compound Name: 1-[4-[2-[6-(1,1-difluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;(3S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine;[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]-imino-methyl-oxo-λ6-sulfane;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide;6-(difluoromethyl)-3-[4-(3-pyridin-2-ylpyrrolidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine
• PubChem CID: 158754320
• Molecular Formula: C87H80F10N32O4S2
• Molecular Weight: 1891.93 g/mol
• Exact Mass: 1890.63
• IUPAC Name: 1-[4-[2-[6-(1,1-difluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;(3S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine;[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]-imino-methyl-oxo-λ6-sulfane;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide;6-(difluoromethyl)-3-[4-(3-pyridin-2-ylpyrrolidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine
• SMILES: CC(=O)N1CCN(c2ccnc(-c3cnc4cnc(C(C)(F)F)cn34)n2)CC1.C[C@H]1COCCN1c1ccnc(-c2cnc3cnc(C(F)F)cn23)n1.FC(F)c1cn2c(-c3nccc(N4CCC(c5ccccn5)C4)n3)cnc2cn1.O=S1CCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CC1.[H]N=S(C)(=O)c1cccc(-c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)c1
• InChI: InChI=1S/C20H17F2N7.C18H19F2N7O.C18H14F2N6OS.C16H16F2N6O.C15H14F2N6OS/c21-19(22)15-12-29-16(9-26-18(29)10-25-15)20-24-7-4-17(27-20)28-8-5-13(11-28)14-3-1-2-6-23-14;1-12(28)25-5-7-26(8-6-25)15-3-4-21-17(24-15)13-9-23-16-10-22-14(11-27(13)16)18(2,19)20;1-28(21,27)12-4-2-3-11(7-12)13-5-6-22-18(25-13)15-8-24-16-9-23-14(17(19)20)10-26(15)16;1-10-9-25-5-4-23(10)13-2-3-19-16(22-13)12-6-21-14-7-20-11(15(17)18)8-24(12)14;16-14(17)10-9-23-11(7-20-13(23)8-19-10)15-18-2-1-12(21-15)22-3-5-25(24)6-4-22/h1-4,6-7,9-10,12-13,19H,5,8,11H2;3-4,9-11H,5-8H2,1-2H3;2-10,17,21H,1H3;2-3,6-8,10,15H,4-5,9H2,1H3;1-2,7-9,14H,3-6H2/t;;;10-;/m...0./s1
• InChIKey: INWHWSWYXZJBLU-CPKWHSIVSA-N
• XLogP: 13.35
• TPSA: 393.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 35
• Rotatable Bonds: 17
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1891.93
LogP ≤ 5	13.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[6-(1,1-difluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;(3S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine;[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]-imino-methyl-oxo-λ6-sulfane;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide;6-(difluoromethyl)-3-[4-(3-pyridin-2-ylpyrrolidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine?

The IUPAC name of 1-[4-[2-[6-(1,1-difluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;(3S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine;[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]-imino-methyl-oxo-λ6-sulfane;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide;6-(difluoromethyl)-3-[4-(3-pyridin-2-ylpyrrolidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine (CID 158754320) is 1-[4-[2-[6-(1,1-difluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;(3S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine;[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]-imino-methyl-oxo-λ6-sulfane;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide;6-(difluoromethyl)-3-[4-(3-pyridin-2-ylpyrrolidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine.

What is the SMILES notation for 1-[4-[2-[6-(1,1-difluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;(3S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine;[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]-imino-methyl-oxo-λ6-sulfane;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide;6-(difluoromethyl)-3-[4-(3-pyridin-2-ylpyrrolidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine?

The canonical SMILES for 1-[4-[2-[6-(1,1-difluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;(3S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine;[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]-imino-methyl-oxo-λ6-sulfane;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide;6-(difluoromethyl)-3-[4-(3-pyridin-2-ylpyrrolidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine is CC(=O)N1CCN(c2ccnc(-c3cnc4cnc(C(C)(F)F)cn34)n2)CC1.C[C@H]1COCCN1c1ccnc(-c2cnc3cnc(C(F)F)cn23)n1.FC(F)c1cn2c(-c3nccc(N4CCC(c5ccccn5)C4)n3)cnc2cn1.O=S1CCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CC1.[H]N=S(C)(=O)c1cccc(-c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)c1.

What is the InChIKey of 1-[4-[2-[6-(1,1-difluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;(3S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine;[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]-imino-methyl-oxo-λ6-sulfane;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide;6-(difluoromethyl)-3-[4-(3-pyridin-2-ylpyrrolidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine?

The InChIKey is INWHWSWYXZJBLU-CPKWHSIVSA-N. The full InChI is InChI=1S/C20H17F2N7.C18H19F2N7O.C18H14F2N6OS.C16H16F2N6O.C15H14F2N6OS/c21-19(22)15-12-29-16(9-26-18(29)10-25-15)20-24-7-4-17(27-20)28-8-5-13(11-28)14-3-1-2-6-23-14;1-12(28)25-5-7-26(8-6-25)15-3-4-21-17(24-15)13-9-23-16-10-22-14(11-27(13)16)18(2,19)20;1-28(21,27)12-4-2-3-11(7-12)13-5-6-22-18(25-13)15-8-24-16-9-23-14(17(19)20)10-26(15)16;1-10-9-25-5-4-23(10)13-2-3-19-16(22-13)12-6-21-14-7-20-11(15(17)18)8-24(12)14;16-14(17)10-9-23-11(7-20-13(23)8-19-10)15-18-2-1-12(21-15)22-3-5-25(24)6-4-22/h1-4,6-7,9-10,12-13,19H,5,8,11H2;3-4,9-11H,5-8H2,1-2H3;2-10,17,21H,1H3;2-3,6-8,10,15H,4-5,9H2,1H3;1-2,7-9,14H,3-6H2/t;;;10-;/m...0./s1.

What are the key properties of 1-[4-[2-[6-(1,1-difluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;(3S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine;[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]-imino-methyl-oxo-λ6-sulfane;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide;6-(difluoromethyl)-3-[4-(3-pyridin-2-ylpyrrolidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine?

1-[4-[2-[6-(1,1-difluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;(3S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine;[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]-imino-methyl-oxo-λ6-sulfane;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide;6-(difluoromethyl)-3-[4-(3-pyridin-2-ylpyrrolidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine has a molecular weight of 1891.93 g/mol, XLogP of 13.35, 17 rotatable bonds, 1 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-[6-(1,1-difluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;(3S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine;[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]-imino-methyl-oxo-λ6-sulfane;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide;6-(difluoromethyl)-3-[4-(3-pyridin-2-ylpyrrolidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 158754320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).