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

C149H179F5N26O3S — CID 167582829

IUPAC7-(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
SMILESCCC1CCN(c2ccc3c(C)nnc(N[C@H](C)c4cccc(C)c4C)c3c2)CC1.CNCc1ccccc1-c1ccc([C@@H](C)Nc2nnc(C(F)(F)F)c3ccc(N4CCOCC4)cc23)s1.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(C4CCNC(=O)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(C4CCNCC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCNCC(F)(F)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCOC[C@@H]4C)cc23)c1C
InChIInChI=1S/C27H28F3N5OS.C26H34N4.C24H29F2N5.C24H30N4O.C24H28N4O.C24H30N4/c1-17(23-9-10-24(37-23)20-6-4-3-5-18(20)16-31-2)32-26-22-15-19(35-11-13-36-14-12-35)7-8-21(22)25(33-34-26)27(28,29)30;1-6-21-12-14-30(15-13-21)22-10-11-24-20(5)28-29-26(25(24)16-22)27-19(4)23-9-7-8-17(2)18(23)3;1-15-6-5-7-20(16(15)2)17(3)28-23-22-12-19(8-9-21(22)18(4)29-30-23)31-11-10-27-13-24(25,26)14-31;1-15-7-6-8-21(17(15)3)18(4)25-24-23-13-20(28-11-12-29-14-16(28)2)9-10-22(23)19(5)26-27-24;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;1-15-6-5-7-21(16(15)2)17(3)26-24-23-14-20(19-10-12-25-13-11-19)8-9-22(23)18(4)27-28-24/h3-10,15,17,31H,11-14,16H2,1-2H3,(H,32,34);7-11,16,19,21H,6,12-15H2,1-5H3,(H,27,29);5-9,12,17,27H,10-11,13-14H2,1-4H3,(H,28,30);6-10,13,16,18H,11-12,14H2,1-5H3,(H,25,27);5-9,12,16,19H,10-11,13H2,1-4H3,(H,25,29)(H,26,28);5-9,14,17,19,25H,10-13H2,1-4H3,(H,26,28)/t17-;19-;17-;16-,18+;16-,19?;17-/m111011/s1
InChIKeyHKEREHFXISPTQV-HRSOXWNESA-N
MW2509.31 g/mol
LogP32.10
Rot. Bonds28

About 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

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 (PubChem CID 167582829) has the molecular formula C149H179F5N26O3S and a molecular weight of 2509.31 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-(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
PubChem CID167582829
Molecular FormulaC149H179F5N26O3S
Molecular Weight2509.31 g/mol
Exact Mass2507.43
IUPAC Name7-(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
SMILESCCC1CCN(c2ccc3c(C)nnc(N[C@H](C)c4cccc(C)c4C)c3c2)CC1.CNCc1ccccc1-c1ccc([C@@H](C)Nc2nnc(C(F)(F)F)c3ccc(N4CCOCC4)cc23)s1.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(C4CCNC(=O)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(C4CCNCC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCNCC(F)(F)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCOC[C@@H]4C)cc23)c1C
InChIInChI=1S/C27H28F3N5OS.C26H34N4.C24H29F2N5.C24H30N4O.C24H28N4O.C24H30N4/c1-17(23-9-10-24(37-23)20-6-4-3-5-18(20)16-31-2)32-26-22-15-19(35-11-13-36-14-12-35)7-8-21(22)25(33-34-26)27(28,29)30;1-6-21-12-14-30(15-13-21)22-10-11-24-20(5)28-29-26(25(24)16-22)27-19(4)23-9-7-8-17(2)18(23)3;1-15-6-5-7-20(16(15)2)17(3)28-23-22-12-19(8-9-21(22)18(4)29-30-23)31-11-10-27-13-24(25,26)14-31;1-15-7-6-8-21(17(15)3)18(4)25-24-23-13-20(28-11-12-29-14-16(28)2)9-10-22(23)19(5)26-27-24;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;1-15-6-5-7-21(16(15)2)17(3)26-24-23-14-20(19-10-12-25-13-11-19)8-9-22(23)18(4)27-28-24/h3-10,15,17,31H,11-14,16H2,1-2H3,(H,32,34);7-11,16,19,21H,6,12-15H2,1-5H3,(H,27,29);5-9,12,17,27H,10-11,13-14H2,1-4H3,(H,28,30);6-10,13,16,18H,11-12,14H2,1-5H3,(H,25,27);5-9,12,16,19H,10-11,13H2,1-4H3,(H,25,29)(H,26,28);5-9,14,17,19,25H,10-13H2,1-4H3,(H,26,28)/t17-;19-;17-;16-,18+;16-,19?;17-/m111011/s1
InChIKeyHKEREHFXISPTQV-HRSOXWNESA-N
XLogP32.10
TPSA323.47 Ų
H-Bond Donors10
H-Bond Acceptors29
Rotatable Bonds28
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002509.31
LogP ≤ 532.10
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1029

Analyze 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 with MolForge

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Related Compounds

4-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]-1-methylpiperazin-2-one;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-methyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[5-[3-methyl-2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine
CID 157332612
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
tert-butyl N-methyl-N-[[2-[5-[(1R)-1-[[7-morpholin-4-yl-4-(trifluoromethyl)phthalazin-1-yl]amino]ethyl]thiophen-2-yl]phenyl]methyl]carbamate;N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-yl-4-(trifluoromethyl)phthalazin-1-amine
CID 161903128
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC1CCN(c2ccc3c(C)nnc(N[C@H](C)c4cccc(C)c4C)c3c2)CC1.CNCc1ccccc1-c1ccc([C@@H](C)Nc2nnc(C(F)(F)F)c3ccc(N4CCOCC4)cc23)s1.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(C4CCNC(=O)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(C4CCNCC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCNCC(F)(F)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCOC[C@@H]4C)cc23)c1C.
What is the InChIKey of 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?
The InChIKey is HKEREHFXISPTQV-HRSOXWNESA-N. The full InChI is InChI=1S/C27H28F3N5OS.C26H34N4.C24H29F2N5.C24H30N4O.C24H28N4O.C24H30N4/c1-17(23-9-10-24(37-23)20-6-4-3-5-18(20)16-31-2)32-26-22-15-19(35-11-13-36-14-12-35)7-8-21(22)25(33-34-26)27(28,29)30;1-6-21-12-14-30(15-13-21)22-10-11-24-20(5)28-29-26(25(24)16-22)27-19(4)23-9-7-8-17(2)18(23)3;1-15-6-5-7-20(16(15)2)17(3)28-23-22-12-19(8-9-21(22)18(4)29-30-23)31-11-10-27-13-24(25,26)14-31;1-15-7-6-8-21(17(15)3)18(4)25-24-23-13-20(28-11-12-29-14-16(28)2)9-10-22(23)19(5)26-27-24;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;1-15-6-5-7-21(16(15)2)17(3)26-24-23-14-20(19-10-12-25-13-11-19)8-9-22(23)18(4)27-28-24/h3-10,15,17,31H,11-14,16H2,1-2H3,(H,32,34);7-11,16,19,21H,6,12-15H2,1-5H3,(H,27,29);5-9,12,17,27H,10-11,13-14H2,1-4H3,(H,28,30);6-10,13,16,18H,11-12,14H2,1-5H3,(H,25,27);5-9,12,16,19H,10-11,13H2,1-4H3,(H,25,29)(H,26,28);5-9,14,17,19,25H,10-13H2,1-4H3,(H,26,28)/t17-;19-;17-;16-,18+;16-,19?;17-/m111011/s1.
What are the key properties of 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?
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 has a molecular weight of 2509.31 g/mol, XLogP of 32.10, 28 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167582829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).