[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-3-yl]methanol;1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-methylazepan-4-ol;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-methylpiperazine-2-carboxamide;3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane;9-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

C89H93F10N33O6 — CID 157269852

About [1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-3-yl]methanol;1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-methylazepan-4-ol;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-methylpiperazine-2-carboxamide;3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane;9-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-3-yl]methanol;1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-methylazepan-4-ol;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-methylpiperazine-2-carboxamide;3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane;9-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (PubChem CID 157269852) has the molecular formula C89H93F10N33O6 and a molecular weight of 1910.93 g/mol. Its IUPAC name is [1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-3-yl]methanol;1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-methylazepan-4-ol;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-methylpiperazine-2-carboxamide;3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane;9-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

• Compound Name: [1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-3-yl]methanol;1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-methylazepan-4-ol;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-methylpiperazine-2-carboxamide;3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane;9-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
• PubChem CID: 157269852
• Molecular Formula: C89H93F10N33O6
• Molecular Weight: 1910.93 g/mol
• Exact Mass: 1909.78
• IUPAC Name: [1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-3-yl]methanol;1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-methylazepan-4-ol;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-methylpiperazine-2-carboxamide;3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane;9-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
• SMILES: CC1(O)CCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CC1.CN1CCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CC1C(N)=O.FC(F)c1cn2c(-c3nccc(N4CC5CCC(C4)O5)n3)cnc2cn1.O=C1NCC2(CCCN(c3ccnc(-c4cnc5cnc(C(F)F)cn45)n3)CC2)O1.OCC1CCCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1
• InChI: InChI=1S/C19H19F2N7O2.2C18H20F2N6O.C17H18F2N8O.C17H16F2N6O/c20-16(21)12-10-28-13(8-24-15(28)9-23-12)17-22-5-2-14(26-17)27-6-1-3-19(4-7-27)11-25-18(29)30-19;1-18(27)4-2-7-25(8-5-18)14-3-6-21-17(24-14)13-9-23-15-10-22-12(16(19)20)11-26(13)15;19-17(20)13-10-26-14(7-23-16(26)8-22-13)18-21-5-4-15(24-18)25-6-2-1-3-12(9-25)11-27;1-25-4-5-26(9-12(25)16(20)28)13-2-3-21-17(24-13)11-6-23-14-7-22-10(15(18)19)8-27(11)14;18-16(19)12-9-25-13(5-22-15(25)6-21-12)17-20-4-3-14(23-17)24-7-10-1-2-11(8-24)26-10/h2,5,8-10,16H,1,3-4,6-7,11H2,(H,25,29);3,6,9-11,16,27H,2,4-5,7-8H2,1H3;4-5,7-8,10,12,17,27H,1-3,6,9,11H2;2-3,6-8,12,15H,4-5,9H2,1H3,(H2,20,28);3-6,9-11,16H,1-2,7-8H2
• InChIKey: AYKILSJBQUXVOJ-UHFFFAOYSA-N
• XLogP: 11.40
• TPSA: 430.40 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 37
• Rotatable Bonds: 17
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1910.93
LogP ≤ 5	11.40
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of [1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-3-yl]methanol;1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-methylazepan-4-ol;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-methylpiperazine-2-carboxamide;3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane;9-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?

The IUPAC name of [1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-3-yl]methanol;1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-methylazepan-4-ol;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-methylpiperazine-2-carboxamide;3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane;9-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (CID 157269852) is [1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-3-yl]methanol;1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-methylazepan-4-ol;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-methylpiperazine-2-carboxamide;3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane;9-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.

What is the SMILES notation for [1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-3-yl]methanol;1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-methylazepan-4-ol;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-methylpiperazine-2-carboxamide;3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane;9-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?

The canonical SMILES for [1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-3-yl]methanol;1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-methylazepan-4-ol;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-methylpiperazine-2-carboxamide;3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane;9-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is CC1(O)CCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CC1.CN1CCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CC1C(N)=O.FC(F)c1cn2c(-c3nccc(N4CC5CCC(C4)O5)n3)cnc2cn1.O=C1NCC2(CCCN(c3ccnc(-c4cnc5cnc(C(F)F)cn45)n3)CC2)O1.OCC1CCCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1.

What is the InChIKey of [1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-3-yl]methanol;1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-methylazepan-4-ol;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-methylpiperazine-2-carboxamide;3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane;9-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?

The InChIKey is AYKILSJBQUXVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N7O2.2C18H20F2N6O.C17H18F2N8O.C17H16F2N6O/c20-16(21)12-10-28-13(8-24-15(28)9-23-12)17-22-5-2-14(26-17)27-6-1-3-19(4-7-27)11-25-18(29)30-19;1-18(27)4-2-7-25(8-5-18)14-3-6-21-17(24-14)13-9-23-15-10-22-12(16(19)20)11-26(13)15;19-17(20)13-10-26-14(7-23-16(26)8-22-13)18-21-5-4-15(24-18)25-6-2-1-3-12(9-25)11-27;1-25-4-5-26(9-12(25)16(20)28)13-2-3-21-17(24-13)11-6-23-14-7-22-10(15(18)19)8-27(11)14;18-16(19)12-9-25-13(5-22-15(25)6-21-12)17-20-4-3-14(23-17)24-7-10-1-2-11(8-24)26-10/h2,5,8-10,16H,1,3-4,6-7,11H2,(H,25,29);3,6,9-11,16,27H,2,4-5,7-8H2,1H3;4-5,7-8,10,12,17,27H,1-3,6,9,11H2;2-3,6-8,12,15H,4-5,9H2,1H3,(H2,20,28);3-6,9-11,16H,1-2,7-8H2.

What are the key properties of [1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-3-yl]methanol;1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-methylazepan-4-ol;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-methylpiperazine-2-carboxamide;3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane;9-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?

[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-3-yl]methanol;1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-methylazepan-4-ol;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-methylpiperazine-2-carboxamide;3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane;9-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 1910.93 g/mol, XLogP of 11.40, 17 rotatable bonds, 4 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-3-yl]methanol;1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-methylazepan-4-ol;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-methylpiperazine-2-carboxamide;3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane;9-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 157269852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).