7-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;7-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;7-(2,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[3-(fluoromethyl)-4-methylpiperazin-1-yl]phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3,4,6,7,8,9-hexahydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[1-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]phthalazin-1-amine

C184H209F4N39 — CID 160517633

IUPAC7-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;7-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;7-(2,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[3-(fluoromethyl)-4-methylpiperazin-1-yl]phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3,4,6,7,8,9-hexahydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[1-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]phthalazin-1-amine
SMILESCc1cccc([C@@H](C)Nc2nncc3ccc(N4CCC5C(CCCN5C)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nncc3ccc(N4CCN(C)C(CF)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nncc3ccc(N4CCn5c(nc6c5CCCC6)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nncc3ccc(N4CCn5c(nc6ccccc65)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nncc3ccc(N4CCn5cc(C(F)(F)F)cc5C4C)cc23)c1C.Cc1cccc([C@@H](C)Nc2nncc3ccc(N4CCn5cncc5C4)cc23)c1C.Cc1cn2c(n1)C(C)N(c1ccc3cnnc(N[C@H](C)c4cccc(C)c4C)c3c1)CC2
InChIInChI=1S/C28H32N6.C28H28N6.C27H28F3N5.C27H35N5.C26H30N6.C24H30FN5.C24H26N6/c2*1-18-7-6-8-23(19(18)2)20(3)30-28-24-15-22(12-11-21(24)16-29-32-28)33-13-14-34-26-10-5-4-9-25(26)31-27(34)17-33;1-16-6-5-7-23(17(16)2)18(3)32-26-24-13-22(9-8-20(24)14-31-33-26)35-11-10-34-15-21(27(28,29)30)12-25(34)19(35)4;1-18-7-5-9-24(19(18)2)20(3)29-27-25-15-23(11-10-21(25)16-28-30-27)32-14-12-26-22(17-32)8-6-13-31(26)4;1-16-7-6-8-23(18(16)3)19(4)29-25-24-13-22(10-9-21(24)14-27-30-25)32-12-11-31-15-17(2)28-26(31)20(32)5;1-16-6-5-7-22(17(16)2)18(3)27-24-23-12-20(9-8-19(23)14-26-28-24)30-11-10-29(4)21(13-25)15-30;1-16-5-4-6-22(17(16)2)18(3)27-24-23-11-20(8-7-19(23)12-26-28-24)29-9-10-30-15-25-13-21(30)14-29/h6-8,11-12,15-16,20H,4-5,9-10,13-14,17H2,1-3H3,(H,30,32);4-12,15-16,20H,13-14,17H2,1-3H3,(H,30,32);5-9,12-15,18-19H,10-11H2,1-4H3,(H,32,33);5,7,9-11,15-16,20,22,26H,6,8,12-14,17H2,1-4H3,(H,29,30);6-10,13-15,19-20H,11-12H2,1-5H3,(H,29,30);5-9,12,14,18,21H,10-11,13,15H2,1-4H3,(H,27,28);4-8,11-13,15,18H,9-10,14H2,1-3H3,(H,27,28)/t2*20-;18-,19?;20-,22?,26?;19-,20?;18-,21?;18-/m1111111/s1
InChIKeyQTVZRICKNLSINP-IJNDRTQKSA-N
MW3042.96 g/mol
LogP38.12
Rot. Bonds29

About 7-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;7-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;7-(2,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[3-(fluoromethyl)-4-methylpiperazin-1-yl]phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3,4,6,7,8,9-hexahydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[1-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]phthalazin-1-amine

7-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;7-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;7-(2,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[3-(fluoromethyl)-4-methylpiperazin-1-yl]phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3,4,6,7,8,9-hexahydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[1-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]phthalazin-1-amine (PubChem CID 160517633) has the molecular formula C184H209F4N39 and a molecular weight of 3042.96 g/mol. Its IUPAC name is 7-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;7-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;7-(2,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[3-(fluoromethyl)-4-methylpiperazin-1-yl]phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3,4,6,7,8,9-hexahydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[1-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]phthalazin-1-amine.

Molecular Properties

Compound Name7-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;7-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;7-(2,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[3-(fluoromethyl)-4-methylpiperazin-1-yl]phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3,4,6,7,8,9-hexahydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[1-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]phthalazin-1-amine
PubChem CID160517633
Molecular FormulaC184H209F4N39
Molecular Weight3042.96 g/mol
Exact Mass3040.75
IUPAC Name7-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;7-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;7-(2,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[3-(fluoromethyl)-4-methylpiperazin-1-yl]phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3,4,6,7,8,9-hexahydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[1-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]phthalazin-1-amine
SMILESCc1cccc([C@@H](C)Nc2nncc3ccc(N4CCC5C(CCCN5C)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nncc3ccc(N4CCN(C)C(CF)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nncc3ccc(N4CCn5c(nc6c5CCCC6)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nncc3ccc(N4CCn5c(nc6ccccc65)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nncc3ccc(N4CCn5cc(C(F)(F)F)cc5C4C)cc23)c1C.Cc1cccc([C@@H](C)Nc2nncc3ccc(N4CCn5cncc5C4)cc23)c1C.Cc1cn2c(n1)C(C)N(c1ccc3cnnc(N[C@H](C)c4cccc(C)c4C)c3c1)CC2
InChIInChI=1S/C28H32N6.C28H28N6.C27H28F3N5.C27H35N5.C26H30N6.C24H30FN5.C24H26N6/c2*1-18-7-6-8-23(19(18)2)20(3)30-28-24-15-22(12-11-21(24)16-29-32-28)33-13-14-34-26-10-5-4-9-25(26)31-27(34)17-33;1-16-6-5-7-23(17(16)2)18(3)32-26-24-13-22(9-8-20(24)14-31-33-26)35-11-10-34-15-21(27(28,29)30)12-25(34)19(35)4;1-18-7-5-9-24(19(18)2)20(3)29-27-25-15-23(11-10-21(25)16-28-30-27)32-14-12-26-22(17-32)8-6-13-31(26)4;1-16-7-6-8-23(18(16)3)19(4)29-25-24-13-22(10-9-21(24)14-27-30-25)32-12-11-31-15-17(2)28-26(31)20(32)5;1-16-6-5-7-22(17(16)2)18(3)27-24-23-12-20(9-8-19(23)14-26-28-24)30-11-10-29(4)21(13-25)15-30;1-16-5-4-6-22(17(16)2)18(3)27-24-23-11-20(8-7-19(23)12-26-28-24)29-9-10-30-15-25-13-21(30)14-29/h6-8,11-12,15-16,20H,4-5,9-10,13-14,17H2,1-3H3,(H,30,32);4-12,15-16,20H,13-14,17H2,1-3H3,(H,30,32);5-9,12-15,18-19H,10-11H2,1-4H3,(H,32,33);5,7,9-11,15-16,20,22,26H,6,8,12-14,17H2,1-4H3,(H,29,30);6-10,13-15,19-20H,11-12H2,1-5H3,(H,29,30);5-9,12,14,18,21H,10-11,13,15H2,1-4H3,(H,27,28);4-8,11-13,15,18H,9-10,14H2,1-3H3,(H,27,28)/t2*20-;18-,19?;20-,22?,26?;19-,20?;18-,21?;18-/m1111111/s1
InChIKeyQTVZRICKNLSINP-IJNDRTQKSA-N
XLogP38.12
TPSA370.04 Ų
H-Bond Donors7
H-Bond Acceptors39
Rotatable Bonds29
Heavy Atoms227
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003042.96
LogP ≤ 538.12
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1039

Analyze 7-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;7-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;7-(2,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[3-(fluoromethyl)-4-methylpiperazin-1-yl]phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3,4,6,7,8,9-hexahydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[1-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]phthalazin-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;7-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;7-(2,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[3-(fluoromethyl)-4-methylpiperazin-1-yl]phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3,4,6,7,8,9-hexahydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[1-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]phthalazin-1-amine?
The IUPAC name of 7-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;7-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;7-(2,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[3-(fluoromethyl)-4-methylpiperazin-1-yl]phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3,4,6,7,8,9-hexahydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[1-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]phthalazin-1-amine (CID 160517633) is 7-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;7-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;7-(2,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[3-(fluoromethyl)-4-methylpiperazin-1-yl]phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3,4,6,7,8,9-hexahydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[1-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]phthalazin-1-amine.
What is the SMILES notation for 7-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;7-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;7-(2,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[3-(fluoromethyl)-4-methylpiperazin-1-yl]phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3,4,6,7,8,9-hexahydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[1-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]phthalazin-1-amine?
The canonical SMILES for 7-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;7-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;7-(2,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[3-(fluoromethyl)-4-methylpiperazin-1-yl]phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3,4,6,7,8,9-hexahydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[1-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]phthalazin-1-amine is Cc1cccc([C@@H](C)Nc2nncc3ccc(N4CCC5C(CCCN5C)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nncc3ccc(N4CCN(C)C(CF)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nncc3ccc(N4CCn5c(nc6c5CCCC6)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nncc3ccc(N4CCn5c(nc6ccccc65)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nncc3ccc(N4CCn5cc(C(F)(F)F)cc5C4C)cc23)c1C.Cc1cccc([C@@H](C)Nc2nncc3ccc(N4CCn5cncc5C4)cc23)c1C.Cc1cn2c(n1)C(C)N(c1ccc3cnnc(N[C@H](C)c4cccc(C)c4C)c3c1)CC2.
What is the InChIKey of 7-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;7-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;7-(2,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[3-(fluoromethyl)-4-methylpiperazin-1-yl]phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3,4,6,7,8,9-hexahydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[1-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]phthalazin-1-amine?
The InChIKey is QTVZRICKNLSINP-IJNDRTQKSA-N. The full InChI is InChI=1S/C28H32N6.C28H28N6.C27H28F3N5.C27H35N5.C26H30N6.C24H30FN5.C24H26N6/c2*1-18-7-6-8-23(19(18)2)20(3)30-28-24-15-22(12-11-21(24)16-29-32-28)33-13-14-34-26-10-5-4-9-25(26)31-27(34)17-33;1-16-6-5-7-23(17(16)2)18(3)32-26-24-13-22(9-8-20(24)14-31-33-26)35-11-10-34-15-21(27(28,29)30)12-25(34)19(35)4;1-18-7-5-9-24(19(18)2)20(3)29-27-25-15-23(11-10-21(25)16-28-30-27)32-14-12-26-22(17-32)8-6-13-31(26)4;1-16-7-6-8-23(18(16)3)19(4)29-25-24-13-22(10-9-21(24)14-27-30-25)32-12-11-31-15-17(2)28-26(31)20(32)5;1-16-6-5-7-22(17(16)2)18(3)27-24-23-12-20(9-8-19(23)14-26-28-24)30-11-10-29(4)21(13-25)15-30;1-16-5-4-6-22(17(16)2)18(3)27-24-23-11-20(8-7-19(23)12-26-28-24)29-9-10-30-15-25-13-21(30)14-29/h6-8,11-12,15-16,20H,4-5,9-10,13-14,17H2,1-3H3,(H,30,32);4-12,15-16,20H,13-14,17H2,1-3H3,(H,30,32);5-9,12-15,18-19H,10-11H2,1-4H3,(H,32,33);5,7,9-11,15-16,20,22,26H,6,8,12-14,17H2,1-4H3,(H,29,30);6-10,13-15,19-20H,11-12H2,1-5H3,(H,29,30);5-9,12,14,18,21H,10-11,13,15H2,1-4H3,(H,27,28);4-8,11-13,15,18H,9-10,14H2,1-3H3,(H,27,28)/t2*20-;18-,19?;20-,22?,26?;19-,20?;18-,21?;18-/m1111111/s1.
What are the key properties of 7-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;7-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;7-(2,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[3-(fluoromethyl)-4-methylpiperazin-1-yl]phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3,4,6,7,8,9-hexahydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[1-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]phthalazin-1-amine?
7-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;7-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;7-(2,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[3-(fluoromethyl)-4-methylpiperazin-1-yl]phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3,4,6,7,8,9-hexahydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[1-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]phthalazin-1-amine has a molecular weight of 3042.96 g/mol, XLogP of 38.12, 29 rotatable bonds, 7 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;7-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;7-(2,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[3-(fluoromethyl)-4-methylpiperazin-1-yl]phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3,4,6,7,8,9-hexahydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[1-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]phthalazin-1-amine is sourced from PubChem (CID 160517633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).