4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperidin-2-one;4-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-1-N,1-N-dimethyl-6-piperazin-1-ylphthalazine-1,4-diamine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methoxy-7-piperazin-1-ylphthalazin-1-amine;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-piperazin-1-ylphthalazin-1-amine);4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine

C144H178N30O3S — CID 161122781

IUPAC4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperidin-2-one;4-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-1-N,1-N-dimethyl-6-piperazin-1-ylphthalazine-1,4-diamine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methoxy-7-piperazin-1-ylphthalazin-1-amine;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-piperazin-1-ylphthalazin-1-amine);4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine
SMILESCNCc1ccccc1-c1ccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCOCC4)cc23)s1.COc1nnc(N[C@H](C)c2cccc(C)c2C)c2cc(N3CCNCC3)ccc12.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(C4CCNC(=O)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCNCC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCNCC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(N(C)C)c3ccc(N4CCNCC4)cc23)c1C
InChIInChI=1S/C27H31N5OS.C24H32N6.C24H28N4O.C23H29N5O.2C23H29N5/c1-18-22-9-8-21(32-12-14-33-15-13-32)16-24(22)27(31-30-18)29-19(2)25-10-11-26(34-25)23-7-5-4-6-20(23)17-28-3;1-16-7-6-8-20(17(16)2)18(3)26-23-22-15-19(30-13-11-25-12-14-30)9-10-21(22)24(28-27-23)29(4)5;1-14-6-5-7-20(15(14)2)16(3)26-24-22-12-18(19-10-11-25-23(29)13-19)8-9-21(22)17(4)27-28-24;1-15-6-5-7-19(16(15)2)17(3)25-22-21-14-18(28-12-10-24-11-13-28)8-9-20(21)23(29-4)27-26-22;2*1-15-6-5-7-20(16(15)2)17(3)25-23-22-14-19(28-12-10-24-11-13-28)8-9-21(22)18(4)26-27-23/h4-11,16,19,28H,12-15,17H2,1-3H3,(H,29,31);6-10,15,18,25H,11-14H2,1-5H3,(H,26,27);5-9,12,16,19H,10-11,13H2,1-4H3,(H,25,29)(H,26,28);5-9,14,17,24H,10-13H2,1-4H3,(H,25,26);2*5-9,14,17,24H,10-13H2,1-4H3,(H,25,27)/t19-;18-;16-,19?;3*17-/m111111/s1
InChIKeyULEAVTVYIVGQCN-CTAURXBTSA-N
MW2409.28 g/mol
LogP26.13
Rot. Bonds29

About 4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperidin-2-one;4-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-1-N,1-N-dimethyl-6-piperazin-1-ylphthalazine-1,4-diamine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methoxy-7-piperazin-1-ylphthalazin-1-amine;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-piperazin-1-ylphthalazin-1-amine);4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine

4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperidin-2-one;4-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-1-N,1-N-dimethyl-6-piperazin-1-ylphthalazine-1,4-diamine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methoxy-7-piperazin-1-ylphthalazin-1-amine;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-piperazin-1-ylphthalazin-1-amine);4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine (PubChem CID 161122781) has the molecular formula C144H178N30O3S and a molecular weight of 2409.28 g/mol. Its IUPAC name is 4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperidin-2-one;4-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-1-N,1-N-dimethyl-6-piperazin-1-ylphthalazine-1,4-diamine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methoxy-7-piperazin-1-ylphthalazin-1-amine;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-piperazin-1-ylphthalazin-1-amine);4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine.

Molecular Properties

Compound Name4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperidin-2-one;4-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-1-N,1-N-dimethyl-6-piperazin-1-ylphthalazine-1,4-diamine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methoxy-7-piperazin-1-ylphthalazin-1-amine;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-piperazin-1-ylphthalazin-1-amine);4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine
PubChem CID161122781
Molecular FormulaC144H178N30O3S
Molecular Weight2409.28 g/mol
Exact Mass2407.44
IUPAC Name4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperidin-2-one;4-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-1-N,1-N-dimethyl-6-piperazin-1-ylphthalazine-1,4-diamine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methoxy-7-piperazin-1-ylphthalazin-1-amine;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-piperazin-1-ylphthalazin-1-amine);4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine
SMILESCNCc1ccccc1-c1ccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCOCC4)cc23)s1.COc1nnc(N[C@H](C)c2cccc(C)c2C)c2cc(N3CCNCC3)ccc12.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(C4CCNC(=O)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCNCC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCNCC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(N(C)C)c3ccc(N4CCNCC4)cc23)c1C
InChIInChI=1S/C27H31N5OS.C24H32N6.C24H28N4O.C23H29N5O.2C23H29N5/c1-18-22-9-8-21(32-12-14-33-15-13-32)16-24(22)27(31-30-18)29-19(2)25-10-11-26(34-25)23-7-5-4-6-20(23)17-28-3;1-16-7-6-8-20(17(16)2)18(3)26-23-22-15-19(30-13-11-25-12-14-30)9-10-21(22)24(28-27-23)29(4)5;1-14-6-5-7-20(15(14)2)16(3)26-24-22-12-18(19-10-11-25-23(29)13-19)8-9-21(22)17(4)27-28-24;1-15-6-5-7-19(16(15)2)17(3)25-22-21-14-18(28-12-10-24-11-13-28)8-9-20(21)23(29-4)27-26-22;2*1-15-6-5-7-20(16(15)2)17(3)25-23-22-14-19(28-12-10-24-11-13-28)8-9-21(22)18(4)26-27-23/h4-11,16,19,28H,12-15,17H2,1-3H3,(H,29,31);6-10,15,18,25H,11-14H2,1-5H3,(H,26,27);5-9,12,16,19H,10-11,13H2,1-4H3,(H,25,29)(H,26,28);5-9,14,17,24H,10-13H2,1-4H3,(H,25,26);2*5-9,14,17,24H,10-13H2,1-4H3,(H,25,27)/t19-;18-;16-,19?;3*17-/m111111/s1
InChIKeyULEAVTVYIVGQCN-CTAURXBTSA-N
XLogP26.13
TPSA354.01 Ų
H-Bond Donors12
H-Bond Acceptors33
Rotatable Bonds29
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002409.28
LogP ≤ 526.13
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1033

Analyze 4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperidin-2-one;4-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-1-N,1-N-dimethyl-6-piperazin-1-ylphthalazine-1,4-diamine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methoxy-7-piperazin-1-ylphthalazin-1-amine;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-piperazin-1-ylphthalazin-1-amine);4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine with MolForge

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Related Compounds

7-(6,6-difluoro-1,4-diazepan-1-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylphthalazin-1-amine;4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperidin-2-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(4-ethylpiperidin-1-yl)-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(3S)-3-methylmorpholin-4-yl]phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-piperazin-1-ylphthalazin-1-amine;N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-yl-4-(trifluoromethyl)phthalazin-1-amine
CID 160217769
7-(6,6-difluoro-1,4-diazepan-1-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylphthalazin-1-amine;4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperidin-2-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(4-ethylpiperidin-1-yl)-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(3S)-3-methylmorpholin-4-yl]phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-piperidin-4-ylphthalazin-1-amine;N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-yl-4-(trifluoromethyl)phthalazin-1-amine
CID 167582829
bis(4,7-dimethyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine);4-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-1-N,1-N-dimethyl-6-piperazin-1-ylphthalazine-1,4-diamine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methoxy-7-piperazin-1-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-piperidin-4-ylphthalazin-1-amine;7-ethyl-4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine
CID 161521124

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperidin-2-one;4-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-1-N,1-N-dimethyl-6-piperazin-1-ylphthalazine-1,4-diamine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methoxy-7-piperazin-1-ylphthalazin-1-amine;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-piperazin-1-ylphthalazin-1-amine);4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine?
The IUPAC name of 4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperidin-2-one;4-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-1-N,1-N-dimethyl-6-piperazin-1-ylphthalazine-1,4-diamine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methoxy-7-piperazin-1-ylphthalazin-1-amine;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-piperazin-1-ylphthalazin-1-amine);4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine (CID 161122781) is 4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperidin-2-one;4-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-1-N,1-N-dimethyl-6-piperazin-1-ylphthalazine-1,4-diamine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methoxy-7-piperazin-1-ylphthalazin-1-amine;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-piperazin-1-ylphthalazin-1-amine);4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine.
What is the SMILES notation for 4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperidin-2-one;4-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-1-N,1-N-dimethyl-6-piperazin-1-ylphthalazine-1,4-diamine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methoxy-7-piperazin-1-ylphthalazin-1-amine;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-piperazin-1-ylphthalazin-1-amine);4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine?
The canonical SMILES for 4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperidin-2-one;4-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-1-N,1-N-dimethyl-6-piperazin-1-ylphthalazine-1,4-diamine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methoxy-7-piperazin-1-ylphthalazin-1-amine;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-piperazin-1-ylphthalazin-1-amine);4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine is CNCc1ccccc1-c1ccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCOCC4)cc23)s1.COc1nnc(N[C@H](C)c2cccc(C)c2C)c2cc(N3CCNCC3)ccc12.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(C4CCNC(=O)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCNCC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCNCC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(N(C)C)c3ccc(N4CCNCC4)cc23)c1C.
What is the InChIKey of 4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperidin-2-one;4-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-1-N,1-N-dimethyl-6-piperazin-1-ylphthalazine-1,4-diamine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methoxy-7-piperazin-1-ylphthalazin-1-amine;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-piperazin-1-ylphthalazin-1-amine);4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine?
The InChIKey is ULEAVTVYIVGQCN-CTAURXBTSA-N. The full InChI is InChI=1S/C27H31N5OS.C24H32N6.C24H28N4O.C23H29N5O.2C23H29N5/c1-18-22-9-8-21(32-12-14-33-15-13-32)16-24(22)27(31-30-18)29-19(2)25-10-11-26(34-25)23-7-5-4-6-20(23)17-28-3;1-16-7-6-8-20(17(16)2)18(3)26-23-22-15-19(30-13-11-25-12-14-30)9-10-21(22)24(28-27-23)29(4)5;1-14-6-5-7-20(15(14)2)16(3)26-24-22-12-18(19-10-11-25-23(29)13-19)8-9-21(22)17(4)27-28-24;1-15-6-5-7-19(16(15)2)17(3)25-22-21-14-18(28-12-10-24-11-13-28)8-9-20(21)23(29-4)27-26-22;2*1-15-6-5-7-20(16(15)2)17(3)25-23-22-14-19(28-12-10-24-11-13-28)8-9-21(22)18(4)26-27-23/h4-11,16,19,28H,12-15,17H2,1-3H3,(H,29,31);6-10,15,18,25H,11-14H2,1-5H3,(H,26,27);5-9,12,16,19H,10-11,13H2,1-4H3,(H,25,29)(H,26,28);5-9,14,17,24H,10-13H2,1-4H3,(H,25,26);2*5-9,14,17,24H,10-13H2,1-4H3,(H,25,27)/t19-;18-;16-,19?;3*17-/m111111/s1.
What are the key properties of 4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperidin-2-one;4-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-1-N,1-N-dimethyl-6-piperazin-1-ylphthalazine-1,4-diamine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methoxy-7-piperazin-1-ylphthalazin-1-amine;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-piperazin-1-ylphthalazin-1-amine);4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine?
4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperidin-2-one;4-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-1-N,1-N-dimethyl-6-piperazin-1-ylphthalazine-1,4-diamine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methoxy-7-piperazin-1-ylphthalazin-1-amine;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-piperazin-1-ylphthalazin-1-amine);4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine has a molecular weight of 2409.28 g/mol, XLogP of 26.13, 29 rotatable bonds, 12 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]piperidin-2-one;4-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-1-N,1-N-dimethyl-6-piperazin-1-ylphthalazine-1,4-diamine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methoxy-7-piperazin-1-ylphthalazin-1-amine;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-piperazin-1-ylphthalazin-1-amine);4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine is sourced from PubChem (CID 161122781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).