7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methylphthalazin-1-amine;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-(oxetan-3-yl)methanone;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(3-methyl-3-morpholin-4-ylazetidin-1-yl)phthalazin-1-amine;N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phthalazin-1-amine;4-methyl-N-[(1R)-1-[3-methyl-2-(trifluoromethyl)phenyl]ethyl]-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phthalazin-1-amine

C152H181F5N28O6 — CID 167692748

IUPAC7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methylphthalazin-1-amine;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-(oxetan-3-yl)methanone;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(3-methyl-3-morpholin-4-ylazetidin-1-yl)phthalazin-1-amine;N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phthalazin-1-amine;4-methyl-N-[(1R)-1-[3-methyl-2-(trifluoromethyl)phenyl]ethyl]-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phthalazin-1-amine
SMILESCc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CC(C)(N5CCOCC5)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CC5(CCCN5C)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCN(C(=O)C5COC5)CC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCN5CCOC[C@@H]5C4)cc23)c1F.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4C[C@H]5C[C@@H]4CO5)cc23)c1C(F)(F)F.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4C[C@H]5C[C@@H]4CO5)cc23)c1F
InChIInChI=1S/C27H33N5O2.C27H35N5O.C26H33N5.C25H30FN5O.C24H25F3N4O.C23H25FN4O/c1-17-6-5-7-23(18(17)2)19(3)28-26-25-14-22(8-9-24(25)20(4)29-30-26)31-10-12-32(13-11-31)27(33)21-15-34-16-21;1-18-7-6-8-23(19(18)2)20(3)28-26-25-15-22(9-10-24(25)21(4)29-30-26)31-16-27(5,17-31)32-11-13-33-14-12-32;1-17-8-6-9-22(18(17)2)19(3)27-25-24-14-21(10-11-23(24)20(4)28-29-25)31-15-26(16-31)12-7-13-30(26)5;1-16-5-4-6-22(24(16)26)17(2)27-25-23-13-19(7-8-21(23)18(3)28-29-25)31-10-9-30-11-12-32-15-20(30)14-31;1-13-5-4-6-20(22(13)24(25,26)27)14(2)28-23-21-10-16(7-8-19(21)15(3)29-30-23)31-11-18-9-17(31)12-32-18;1-13-5-4-6-20(22(13)24)14(2)25-23-21-10-16(7-8-19(21)15(3)26-27-23)28-11-18-9-17(28)12-29-18/h5-9,14,19,21H,10-13,15-16H2,1-4H3,(H,28,30);6-10,15,20H,11-14,16-17H2,1-5H3,(H,28,30);6,8-11,14,19H,7,12-13,15-16H2,1-5H3,(H,27,29);4-8,13,17,20H,9-12,14-15H2,1-3H3,(H,27,29);4-8,10,14,17-18H,9,11-12H2,1-3H3,(H,28,30);4-8,10,14,17-18H,9,11-12H2,1-3H3,(H,25,27)/t19-;20-;19-;17-,20+;2*14-,17-,18-/m111111/s1
InChIKeyXEROYLRWEDQBHK-HMYLTFISSA-N
MW2591.30 g/mol
LogP27.71
Rot. Bonds26

About 7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methylphthalazin-1-amine;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-(oxetan-3-yl)methanone;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(3-methyl-3-morpholin-4-ylazetidin-1-yl)phthalazin-1-amine;N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phthalazin-1-amine;4-methyl-N-[(1R)-1-[3-methyl-2-(trifluoromethyl)phenyl]ethyl]-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phthalazin-1-amine

7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methylphthalazin-1-amine;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-(oxetan-3-yl)methanone;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(3-methyl-3-morpholin-4-ylazetidin-1-yl)phthalazin-1-amine;N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phthalazin-1-amine;4-methyl-N-[(1R)-1-[3-methyl-2-(trifluoromethyl)phenyl]ethyl]-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phthalazin-1-amine (PubChem CID 167692748) has the molecular formula C152H181F5N28O6 and a molecular weight of 2591.30 g/mol. Its IUPAC name is 7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methylphthalazin-1-amine;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-(oxetan-3-yl)methanone;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(3-methyl-3-morpholin-4-ylazetidin-1-yl)phthalazin-1-amine;N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phthalazin-1-amine;4-methyl-N-[(1R)-1-[3-methyl-2-(trifluoromethyl)phenyl]ethyl]-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phthalazin-1-amine.

Molecular Properties

Compound Name7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methylphthalazin-1-amine;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-(oxetan-3-yl)methanone;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(3-methyl-3-morpholin-4-ylazetidin-1-yl)phthalazin-1-amine;N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phthalazin-1-amine;4-methyl-N-[(1R)-1-[3-methyl-2-(trifluoromethyl)phenyl]ethyl]-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phthalazin-1-amine
PubChem CID167692748
Molecular FormulaC152H181F5N28O6
Molecular Weight2591.30 g/mol
Exact Mass2589.46
IUPAC Name7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methylphthalazin-1-amine;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-(oxetan-3-yl)methanone;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(3-methyl-3-morpholin-4-ylazetidin-1-yl)phthalazin-1-amine;N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phthalazin-1-amine;4-methyl-N-[(1R)-1-[3-methyl-2-(trifluoromethyl)phenyl]ethyl]-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phthalazin-1-amine
SMILESCc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CC(C)(N5CCOCC5)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CC5(CCCN5C)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCN(C(=O)C5COC5)CC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCN5CCOC[C@@H]5C4)cc23)c1F.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4C[C@H]5C[C@@H]4CO5)cc23)c1C(F)(F)F.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4C[C@H]5C[C@@H]4CO5)cc23)c1F
InChIInChI=1S/C27H33N5O2.C27H35N5O.C26H33N5.C25H30FN5O.C24H25F3N4O.C23H25FN4O/c1-17-6-5-7-23(18(17)2)19(3)28-26-25-14-22(8-9-24(25)20(4)29-30-26)31-10-12-32(13-11-31)27(33)21-15-34-16-21;1-18-7-6-8-23(19(18)2)20(3)28-26-25-15-22(9-10-24(25)21(4)29-30-26)31-16-27(5,17-31)32-11-13-33-14-12-32;1-17-8-6-9-22(18(17)2)19(3)27-25-24-14-21(10-11-23(24)20(4)28-29-25)31-15-26(16-31)12-7-13-30(26)5;1-16-5-4-6-22(24(16)26)17(2)27-25-23-13-19(7-8-21(23)18(3)28-29-25)31-10-9-30-11-12-32-15-20(30)14-31;1-13-5-4-6-20(22(13)24(25,26)27)14(2)28-23-21-10-16(7-8-19(21)15(3)29-30-23)31-11-18-9-17(31)12-32-18;1-13-5-4-6-20(22(13)24)14(2)25-23-21-10-16(7-8-19(21)15(3)26-27-23)28-11-18-9-17(28)12-29-18/h5-9,14,19,21H,10-13,15-16H2,1-4H3,(H,28,30);6-10,15,20H,11-14,16-17H2,1-5H3,(H,28,30);6,8-11,14,19H,7,12-13,15-16H2,1-5H3,(H,27,29);4-8,13,17,20H,9-12,14-15H2,1-3H3,(H,27,29);4-8,10,14,17-18H,9,11-12H2,1-3H3,(H,28,30);4-8,10,14,17-18H,9,11-12H2,1-3H3,(H,25,27)/t19-;20-;19-;17-,20+;2*14-,17-,18-/m111111/s1
InChIKeyXEROYLRWEDQBHK-HMYLTFISSA-N
XLogP27.71
TPSA322.48 Ų
H-Bond Donors6
H-Bond Acceptors33
Rotatable Bonds26
Heavy Atoms191
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002591.30
LogP ≤ 527.71
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1033

Analyze 7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methylphthalazin-1-amine;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-(oxetan-3-yl)methanone;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(3-methyl-3-morpholin-4-ylazetidin-1-yl)phthalazin-1-amine;N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phthalazin-1-amine;4-methyl-N-[(1R)-1-[3-methyl-2-(trifluoromethyl)phenyl]ethyl]-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phthalazin-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methylphthalazin-1-amine;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-(oxetan-3-yl)methanone;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(3-methyl-3-morpholin-4-ylazetidin-1-yl)phthalazin-1-amine;N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phthalazin-1-amine;4-methyl-N-[(1R)-1-[3-methyl-2-(trifluoromethyl)phenyl]ethyl]-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phthalazin-1-amine?
The IUPAC name of 7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methylphthalazin-1-amine;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-(oxetan-3-yl)methanone;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(3-methyl-3-morpholin-4-ylazetidin-1-yl)phthalazin-1-amine;N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phthalazin-1-amine;4-methyl-N-[(1R)-1-[3-methyl-2-(trifluoromethyl)phenyl]ethyl]-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phthalazin-1-amine (CID 167692748) is 7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methylphthalazin-1-amine;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-(oxetan-3-yl)methanone;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(3-methyl-3-morpholin-4-ylazetidin-1-yl)phthalazin-1-amine;N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phthalazin-1-amine;4-methyl-N-[(1R)-1-[3-methyl-2-(trifluoromethyl)phenyl]ethyl]-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phthalazin-1-amine.
What is the SMILES notation for 7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methylphthalazin-1-amine;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-(oxetan-3-yl)methanone;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(3-methyl-3-morpholin-4-ylazetidin-1-yl)phthalazin-1-amine;N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phthalazin-1-amine;4-methyl-N-[(1R)-1-[3-methyl-2-(trifluoromethyl)phenyl]ethyl]-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phthalazin-1-amine?
The canonical SMILES for 7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methylphthalazin-1-amine;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-(oxetan-3-yl)methanone;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(3-methyl-3-morpholin-4-ylazetidin-1-yl)phthalazin-1-amine;N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phthalazin-1-amine;4-methyl-N-[(1R)-1-[3-methyl-2-(trifluoromethyl)phenyl]ethyl]-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phthalazin-1-amine is Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CC(C)(N5CCOCC5)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CC5(CCCN5C)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCN(C(=O)C5COC5)CC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCN5CCOC[C@@H]5C4)cc23)c1F.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4C[C@H]5C[C@@H]4CO5)cc23)c1C(F)(F)F.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4C[C@H]5C[C@@H]4CO5)cc23)c1F.
What is the InChIKey of 7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methylphthalazin-1-amine;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-(oxetan-3-yl)methanone;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(3-methyl-3-morpholin-4-ylazetidin-1-yl)phthalazin-1-amine;N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phthalazin-1-amine;4-methyl-N-[(1R)-1-[3-methyl-2-(trifluoromethyl)phenyl]ethyl]-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phthalazin-1-amine?
The InChIKey is XEROYLRWEDQBHK-HMYLTFISSA-N. The full InChI is InChI=1S/C27H33N5O2.C27H35N5O.C26H33N5.C25H30FN5O.C24H25F3N4O.C23H25FN4O/c1-17-6-5-7-23(18(17)2)19(3)28-26-25-14-22(8-9-24(25)20(4)29-30-26)31-10-12-32(13-11-31)27(33)21-15-34-16-21;1-18-7-6-8-23(19(18)2)20(3)28-26-25-15-22(9-10-24(25)21(4)29-30-26)31-16-27(5,17-31)32-11-13-33-14-12-32;1-17-8-6-9-22(18(17)2)19(3)27-25-24-14-21(10-11-23(24)20(4)28-29-25)31-15-26(16-31)12-7-13-30(26)5;1-16-5-4-6-22(24(16)26)17(2)27-25-23-13-19(7-8-21(23)18(3)28-29-25)31-10-9-30-11-12-32-15-20(30)14-31;1-13-5-4-6-20(22(13)24(25,26)27)14(2)28-23-21-10-16(7-8-19(21)15(3)29-30-23)31-11-18-9-17(31)12-32-18;1-13-5-4-6-20(22(13)24)14(2)25-23-21-10-16(7-8-19(21)15(3)26-27-23)28-11-18-9-17(28)12-29-18/h5-9,14,19,21H,10-13,15-16H2,1-4H3,(H,28,30);6-10,15,20H,11-14,16-17H2,1-5H3,(H,28,30);6,8-11,14,19H,7,12-13,15-16H2,1-5H3,(H,27,29);4-8,13,17,20H,9-12,14-15H2,1-3H3,(H,27,29);4-8,10,14,17-18H,9,11-12H2,1-3H3,(H,28,30);4-8,10,14,17-18H,9,11-12H2,1-3H3,(H,25,27)/t19-;20-;19-;17-,20+;2*14-,17-,18-/m111111/s1.
What are the key properties of 7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methylphthalazin-1-amine;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-(oxetan-3-yl)methanone;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(3-methyl-3-morpholin-4-ylazetidin-1-yl)phthalazin-1-amine;N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phthalazin-1-amine;4-methyl-N-[(1R)-1-[3-methyl-2-(trifluoromethyl)phenyl]ethyl]-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phthalazin-1-amine?
7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methylphthalazin-1-amine;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-(oxetan-3-yl)methanone;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(3-methyl-3-morpholin-4-ylazetidin-1-yl)phthalazin-1-amine;N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phthalazin-1-amine;4-methyl-N-[(1R)-1-[3-methyl-2-(trifluoromethyl)phenyl]ethyl]-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phthalazin-1-amine has a molecular weight of 2591.30 g/mol, XLogP of 27.71, 26 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methylphthalazin-1-amine;[4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperazin-1-yl]-(oxetan-3-yl)methanone;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(3-methyl-3-morpholin-4-ylazetidin-1-yl)phthalazin-1-amine;N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phthalazin-1-amine;4-methyl-N-[(1R)-1-[3-methyl-2-(trifluoromethyl)phenyl]ethyl]-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phthalazin-1-amine is sourced from PubChem (CID 167692748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).