3-cyclopropyl-N-[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine;1-[8-[[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-3-yl]-2,2,2-trifluoroethanone;N-[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-3-methylsulfonyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine;N-[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-3-(2,2,2-trifluoroethyl)-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine

C116H126F10N28O7S — CID 158721228

IUPAC3-cyclopropyl-N-[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine;1-[8-[[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-3-yl]-2,2,2-trifluoroethanone;N-[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-3-methylsulfonyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine;N-[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-3-(2,2,2-trifluoroethyl)-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine
SMILESCc1cc(-c2nc(Nc3ccc4c(c3)OCC3CN(C(=O)C(F)(F)F)CCN43)ncc2F)cc2c1nc(C)n2C(C)C.Cc1cc(-c2nc(Nc3ccc4c(c3)OCC3CN(C5CC5)CCN43)ncc2F)cc2c1nc(C)n2C(C)C.Cc1cc(-c2nc(Nc3ccc4c(c3)OCC3CN(CC(F)(F)F)CCN43)ncc2F)cc2c1nc(C)n2C(C)C.Cc1cc(-c2nc(Nc3ccc4c(c3)OCC3CN(S(C)(=O)=O)CCN43)ncc2F)cc2c1nc(C)n2C(C)C
InChIInChI=1S/C30H34FN7O.C29H29F4N7O2.C29H31F4N7O.C28H32FN7O3S/c1-17(2)38-19(4)33-28-18(3)11-20(12-26(28)38)29-24(31)14-32-30(35-29)34-21-5-8-25-27(13-21)39-16-23-15-36(22-6-7-22)9-10-37(23)25;1-15(2)40-17(4)35-25-16(3)9-18(10-23(25)40)26-21(30)12-34-28(37-26)36-19-5-6-22-24(11-19)42-14-20-13-38(7-8-39(20)22)27(41)29(31,32)33;1-16(2)40-18(4)35-26-17(3)9-19(10-24(26)40)27-22(30)12-34-28(37-27)36-20-5-6-23-25(11-20)41-14-21-13-38(7-8-39(21)23)15-29(31,32)33;1-16(2)36-18(4)31-26-17(3)10-19(11-24(26)36)27-22(29)13-30-28(33-27)32-20-6-7-23-25(12-20)39-15-21-14-34(40(5,37)38)8-9-35(21)23/h5,8,11-14,17,22-23H,6-7,9-10,15-16H2,1-4H3,(H,32,34,35);5-6,9-12,15,20H,7-8,13-14H2,1-4H3,(H,34,36,37);5-6,9-12,16,21H,7-8,13-15H2,1-4H3,(H,34,36,37);6-7,10-13,16,21H,8-9,14-15H2,1-5H3,(H,30,32,33)
InChIKeyIJYCFLIMMPOVNZ-UHFFFAOYSA-N
MW2246.52 g/mol
LogP21.60
Rot. Bonds19

About 3-cyclopropyl-N-[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine;1-[8-[[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-3-yl]-2,2,2-trifluoroethanone;N-[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-3-methylsulfonyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine;N-[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-3-(2,2,2-trifluoroethyl)-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine

3-cyclopropyl-N-[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine;1-[8-[[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-3-yl]-2,2,2-trifluoroethanone;N-[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-3-methylsulfonyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine;N-[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-3-(2,2,2-trifluoroethyl)-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine (PubChem CID 158721228) has the molecular formula C116H126F10N28O7S and a molecular weight of 2246.52 g/mol. Its IUPAC name is 3-cyclopropyl-N-[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine;1-[8-[[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-3-yl]-2,2,2-trifluoroethanone;N-[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-3-methylsulfonyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine;N-[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-3-(2,2,2-trifluoroethyl)-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine;1-[8-[[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-3-yl]-2,2,2-trifluoroethanone;N-[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-3-methylsulfonyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine;N-[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-3-(2,2,2-trifluoroethyl)-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine
PubChem CID158721228
Molecular FormulaC116H126F10N28O7S
Molecular Weight2246.52 g/mol
Exact Mass2244.99
IUPAC Name3-cyclopropyl-N-[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine;1-[8-[[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-3-yl]-2,2,2-trifluoroethanone;N-[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-3-methylsulfonyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine;N-[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-3-(2,2,2-trifluoroethyl)-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine
SMILESCc1cc(-c2nc(Nc3ccc4c(c3)OCC3CN(C(=O)C(F)(F)F)CCN43)ncc2F)cc2c1nc(C)n2C(C)C.Cc1cc(-c2nc(Nc3ccc4c(c3)OCC3CN(C5CC5)CCN43)ncc2F)cc2c1nc(C)n2C(C)C.Cc1cc(-c2nc(Nc3ccc4c(c3)OCC3CN(CC(F)(F)F)CCN43)ncc2F)cc2c1nc(C)n2C(C)C.Cc1cc(-c2nc(Nc3ccc4c(c3)OCC3CN(S(C)(=O)=O)CCN43)ncc2F)cc2c1nc(C)n2C(C)C
InChIInChI=1S/C30H34FN7O.C29H29F4N7O2.C29H31F4N7O.C28H32FN7O3S/c1-17(2)38-19(4)33-28-18(3)11-20(12-26(28)38)29-24(31)14-32-30(35-29)34-21-5-8-25-27(13-21)39-16-23-15-36(22-6-7-22)9-10-37(23)25;1-15(2)40-17(4)35-25-16(3)9-18(10-23(25)40)26-21(30)12-34-28(37-26)36-19-5-6-22-24(11-19)42-14-20-13-38(7-8-39(20)22)27(41)29(31,32)33;1-16(2)40-18(4)35-26-17(3)9-19(10-24(26)40)27-22(30)12-34-28(37-27)36-20-5-6-23-25(11-20)41-14-21-13-38(7-8-39(21)23)15-29(31,32)33;1-16(2)36-18(4)31-26-17(3)10-19(11-24(26)36)27-22(29)13-30-28(33-27)32-20-6-7-23-25(12-20)39-15-21-14-34(40(5,37)38)8-9-35(21)23/h5,8,11-14,17,22-23H,6-7,9-10,15-16H2,1-4H3,(H,32,34,35);5-6,9-12,15,20H,7-8,13-14H2,1-4H3,(H,34,36,37);5-6,9-12,16,21H,7-8,13-15H2,1-4H3,(H,34,36,37);6-7,10-13,16,21H,8-9,14-15H2,1-5H3,(H,30,32,33)
InChIKeyIJYCFLIMMPOVNZ-UHFFFAOYSA-N
XLogP21.60
TPSA336.57 Ų
H-Bond Donors4
H-Bond Acceptors33
Rotatable Bonds19
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002246.52
LogP ≤ 521.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1033

Analyze 3-cyclopropyl-N-[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine;1-[8-[[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-3-yl]-2,2,2-trifluoroethanone;N-[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-3-methylsulfonyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine;N-[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-3-(2,2,2-trifluoroethyl)-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-3-methylsulfonyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine
CID 139575842
(4aR)-N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-3-(1-methylpiperidin-4-yl)-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine
CID 139575846
N-[5-fluoro-4-[2-[[8-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-3-yl]sulfonyl]ethyl]-6-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-3-phenyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine
CID 139575851
1-[8-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-3-yl]ethanone
CID 139575888
2,2,2-trifluoro-1-[8-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-3-yl]ethanone
CID 139575891
3-Ethyl-8-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-1-one
CID 139575966
8-[[5-Fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-methylsulfonyl-2,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-1-one
CID 139575967
N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-3-(1,3-oxazol-5-yl)-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine
CID 139576020
3-ethylsulfonyl-N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine
CID 142373661
(4aS)-N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-3-(1-methylpiperidin-4-yl)-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine
CID 154612722
3-ethyl-8-[[5-fluoro-4-[3-[8-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazine-3-carbonyl]phenyl]-6-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-1-one
CID 155027520
N-[5-[[4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-(trifluoromethoxy)phenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl)-5-ethylpyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(7-cyclopropyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl)-5-methylpyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[5-methyl-4-(7-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 157327624

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine;1-[8-[[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-3-yl]-2,2,2-trifluoroethanone;N-[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-3-methylsulfonyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine;N-[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-3-(2,2,2-trifluoroethyl)-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine?
The IUPAC name of 3-cyclopropyl-N-[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine;1-[8-[[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-3-yl]-2,2,2-trifluoroethanone;N-[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-3-methylsulfonyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine;N-[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-3-(2,2,2-trifluoroethyl)-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine (CID 158721228) is 3-cyclopropyl-N-[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine;1-[8-[[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-3-yl]-2,2,2-trifluoroethanone;N-[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-3-methylsulfonyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine;N-[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-3-(2,2,2-trifluoroethyl)-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine.
What is the SMILES notation for 3-cyclopropyl-N-[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine;1-[8-[[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-3-yl]-2,2,2-trifluoroethanone;N-[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-3-methylsulfonyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine;N-[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-3-(2,2,2-trifluoroethyl)-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine?
The canonical SMILES for 3-cyclopropyl-N-[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine;1-[8-[[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-3-yl]-2,2,2-trifluoroethanone;N-[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-3-methylsulfonyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine;N-[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-3-(2,2,2-trifluoroethyl)-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine is Cc1cc(-c2nc(Nc3ccc4c(c3)OCC3CN(C(=O)C(F)(F)F)CCN43)ncc2F)cc2c1nc(C)n2C(C)C.Cc1cc(-c2nc(Nc3ccc4c(c3)OCC3CN(C5CC5)CCN43)ncc2F)cc2c1nc(C)n2C(C)C.Cc1cc(-c2nc(Nc3ccc4c(c3)OCC3CN(CC(F)(F)F)CCN43)ncc2F)cc2c1nc(C)n2C(C)C.Cc1cc(-c2nc(Nc3ccc4c(c3)OCC3CN(S(C)(=O)=O)CCN43)ncc2F)cc2c1nc(C)n2C(C)C.
What is the InChIKey of 3-cyclopropyl-N-[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine;1-[8-[[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-3-yl]-2,2,2-trifluoroethanone;N-[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-3-methylsulfonyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine;N-[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-3-(2,2,2-trifluoroethyl)-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine?
The InChIKey is IJYCFLIMMPOVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34FN7O.C29H29F4N7O2.C29H31F4N7O.C28H32FN7O3S/c1-17(2)38-19(4)33-28-18(3)11-20(12-26(28)38)29-24(31)14-32-30(35-29)34-21-5-8-25-27(13-21)39-16-23-15-36(22-6-7-22)9-10-37(23)25;1-15(2)40-17(4)35-25-16(3)9-18(10-23(25)40)26-21(30)12-34-28(37-26)36-19-5-6-22-24(11-19)42-14-20-13-38(7-8-39(20)22)27(41)29(31,32)33;1-16(2)40-18(4)35-26-17(3)9-19(10-24(26)40)27-22(30)12-34-28(37-27)36-20-5-6-23-25(11-20)41-14-21-13-38(7-8-39(21)23)15-29(31,32)33;1-16(2)36-18(4)31-26-17(3)10-19(11-24(26)36)27-22(29)13-30-28(33-27)32-20-6-7-23-25(12-20)39-15-21-14-34(40(5,37)38)8-9-35(21)23/h5,8,11-14,17,22-23H,6-7,9-10,15-16H2,1-4H3,(H,32,34,35);5-6,9-12,15,20H,7-8,13-14H2,1-4H3,(H,34,36,37);5-6,9-12,16,21H,7-8,13-15H2,1-4H3,(H,34,36,37);6-7,10-13,16,21H,8-9,14-15H2,1-5H3,(H,30,32,33).
What are the key properties of 3-cyclopropyl-N-[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine;1-[8-[[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-3-yl]-2,2,2-trifluoroethanone;N-[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-3-methylsulfonyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine;N-[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-3-(2,2,2-trifluoroethyl)-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine?
3-cyclopropyl-N-[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine;1-[8-[[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-3-yl]-2,2,2-trifluoroethanone;N-[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-3-methylsulfonyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine;N-[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-3-(2,2,2-trifluoroethyl)-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine has a molecular weight of 2246.52 g/mol, XLogP of 21.60, 19 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine;1-[8-[[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-3-yl]-2,2,2-trifluoroethanone;N-[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-3-methylsulfonyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine;N-[4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-3-(2,2,2-trifluoroethyl)-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine is sourced from PubChem (CID 158721228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).