7-[3-(azetidin-1-yl)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;7-[3-(dimethylamino)azepan-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;N-[(1R)-1-[4-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-piperidin-4-yloxyphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(3S)-pyrrolidin-3-yl]oxyphthalazin-1-amine

C146H178N26O5S — CID 167626798

IUPAC7-[3-(azetidin-1-yl)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;7-[3-(dimethylamino)azepan-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;N-[(1R)-1-[4-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-piperidin-4-yloxyphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(3S)-pyrrolidin-3-yl]oxyphthalazin-1-amine
SMILESC[C@@H](Nc1nncc2ccc(N3CCOCC3)cc12)c1cc(-c2ccccc2CN(C)C)cs1.Cc1cccc([C@@H](C)Nc2nncc3ccc(N4CCCC(N5CCC5)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nncc3ccc(N4CCCCC(N(C)C)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nncc3ccc(OC4CCNCC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nncc3ccc(O[C@H]4CCNC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nncc3ccc(O[C@H]4CCOC4)cc23)c1C
InChIInChI=1S/C27H31N5OS.C26H33N5.C26H35N5.C23H28N4O.C22H26N4O.C22H25N3O2/c1-19(26-14-22(18-34-26)24-7-5-4-6-21(24)17-31(2)3)29-27-25-15-23(32-10-12-33-13-11-32)9-8-20(25)16-28-30-27;1-18-7-4-9-24(19(18)2)20(3)28-26-25-15-22(11-10-21(25)16-27-29-26)31-12-5-8-23(17-31)30-13-6-14-30;1-18-9-8-11-24(19(18)2)20(3)28-26-25-15-22(13-12-21(25)16-27-29-26)31-14-7-6-10-23(17-31)30(4)5;1-15-5-4-6-21(16(15)2)17(3)26-23-22-13-20(8-7-18(22)14-25-27-23)28-19-9-11-24-12-10-19;1-14-5-4-6-20(15(14)2)16(3)25-22-21-11-18(27-19-9-10-23-13-19)8-7-17(21)12-24-26-22;1-14-5-4-6-20(15(14)2)16(3)24-22-21-11-18(27-19-9-10-26-13-19)8-7-17(21)12-23-25-22/h4-9,14-16,18-19H,10-13,17H2,1-3H3,(H,29,30);4,7,9-11,15-16,20,23H,5-6,8,12-14,17H2,1-3H3,(H,28,29);8-9,11-13,15-16,20,23H,6-7,10,14,17H2,1-5H3,(H,28,29);4-8,13-14,17,19,24H,9-12H2,1-3H3,(H,26,27);4-8,11-12,16,19,23H,9-10,13H2,1-3H3,(H,25,26);4-8,11-12,16,19H,9-10,13H2,1-3H3,(H,24,25)/t19-;2*20-,23?;17-;2*16-,19+/m111111/s1
InChIKeyNFJMNLXMNRCHSM-WCFKDCDZSA-N
MW2409.27 g/mol
LogP29.16
Rot. Bonds32

About 7-[3-(azetidin-1-yl)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;7-[3-(dimethylamino)azepan-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;N-[(1R)-1-[4-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-piperidin-4-yloxyphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(3S)-pyrrolidin-3-yl]oxyphthalazin-1-amine

7-[3-(azetidin-1-yl)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;7-[3-(dimethylamino)azepan-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;N-[(1R)-1-[4-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-piperidin-4-yloxyphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(3S)-pyrrolidin-3-yl]oxyphthalazin-1-amine (PubChem CID 167626798) has the molecular formula C146H178N26O5S and a molecular weight of 2409.27 g/mol. Its IUPAC name is 7-[3-(azetidin-1-yl)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;7-[3-(dimethylamino)azepan-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;N-[(1R)-1-[4-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-piperidin-4-yloxyphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(3S)-pyrrolidin-3-yl]oxyphthalazin-1-amine.

Molecular Properties

Compound Name7-[3-(azetidin-1-yl)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;7-[3-(dimethylamino)azepan-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;N-[(1R)-1-[4-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-piperidin-4-yloxyphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(3S)-pyrrolidin-3-yl]oxyphthalazin-1-amine
PubChem CID167626798
Molecular FormulaC146H178N26O5S
Molecular Weight2409.27 g/mol
Exact Mass2407.42
IUPAC Name7-[3-(azetidin-1-yl)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;7-[3-(dimethylamino)azepan-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;N-[(1R)-1-[4-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-piperidin-4-yloxyphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(3S)-pyrrolidin-3-yl]oxyphthalazin-1-amine
SMILESC[C@@H](Nc1nncc2ccc(N3CCOCC3)cc12)c1cc(-c2ccccc2CN(C)C)cs1.Cc1cccc([C@@H](C)Nc2nncc3ccc(N4CCCC(N5CCC5)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nncc3ccc(N4CCCCC(N(C)C)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nncc3ccc(OC4CCNCC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nncc3ccc(O[C@H]4CCNC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nncc3ccc(O[C@H]4CCOC4)cc23)c1C
InChIInChI=1S/C27H31N5OS.C26H33N5.C26H35N5.C23H28N4O.C22H26N4O.C22H25N3O2/c1-19(26-14-22(18-34-26)24-7-5-4-6-21(24)17-31(2)3)29-27-25-15-23(32-10-12-33-13-11-32)9-8-20(25)16-28-30-27;1-18-7-4-9-24(19(18)2)20(3)28-26-25-15-22(11-10-21(25)16-27-29-26)31-12-5-8-23(17-31)30-13-6-14-30;1-18-9-8-11-24(19(18)2)20(3)28-26-25-15-22(13-12-21(25)16-27-29-26)31-14-7-6-10-23(17-31)30(4)5;1-15-5-4-6-21(16(15)2)17(3)26-23-22-13-20(8-7-18(22)14-25-27-23)28-19-9-11-24-12-10-19;1-14-5-4-6-20(15(14)2)16(3)25-22-21-11-18(27-19-9-10-23-13-19)8-7-17(21)12-24-26-22;1-14-5-4-6-20(15(14)2)16(3)24-22-21-11-18(27-19-9-10-26-13-19)8-7-17(21)12-23-25-22/h4-9,14-16,18-19H,10-13,17H2,1-3H3,(H,29,30);4,7,9-11,15-16,20,23H,5-6,8,12-14,17H2,1-3H3,(H,28,29);8-9,11-13,15-16,20,23H,6-7,10,14,17H2,1-5H3,(H,28,29);4-8,13-14,17,19,24H,9-12H2,1-3H3,(H,26,27);4-8,11-12,16,19,23H,9-10,13H2,1-3H3,(H,25,26);4-8,11-12,16,19H,9-10,13H2,1-3H3,(H,24,25)/t19-;2*20-,23?;17-;2*16-,19+/m111111/s1
InChIKeyNFJMNLXMNRCHSM-WCFKDCDZSA-N
XLogP29.16
TPSA316.51 Ų
H-Bond Donors8
H-Bond Acceptors32
Rotatable Bonds32
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002409.27
LogP ≤ 529.16
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1032

Analyze 7-[3-(azetidin-1-yl)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;7-[3-(dimethylamino)azepan-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;N-[(1R)-1-[4-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-piperidin-4-yloxyphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(3S)-pyrrolidin-3-yl]oxyphthalazin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[3-(dimethylamino)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine
CID 157323131
7-[6-(dimethylamino)-2-azaspiro[3.3]heptan-2-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;7-[3-(dimethylamino)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-6-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl)phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)phthalazin-1-amine
CID 167604064
6,7-dimethyl-N-[1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine
CID 159689013
2-methyl-4-[[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]amino]-6-[(3S)-oxolan-3-yl]oxy-8H-pyrido[2,3-d]pyrimidin-7-one
CID 164872863
tert-butyl (3S)-3-[4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]phthalazin-6-yl]oxypyrrolidine-1-carboxylate
CID 162452456
N-[(1R)-1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-3-[4-(dimethylamino)piperidin-1-yl]-8-methylpyrido[2,3-d]pyridazin-5-amine
CID 168954178
2-methyl-3-[(1R)-1-[[4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-yl]amino]ethyl]benzonitrile
CID 156527581
7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(5-methyl-8-oxa-2,5-diazaspiro[3.5]nonan-2-yl)pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(6-oxa-2-azaspiro[3.4]octan-2-yl)pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(1R,4R)-5-propyl-2,5-diazabicyclo[2.2.2]octan-2-yl]pyrido[3,4-d]pyridazin-1-amine;7-(4-ethylpiperazin-1-yl)-N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine
CID 161155617
N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-2-methyl-6-piperazin-1-ylquinolin-4-amine
CID 174335664
6-[(9aR)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]cinnolin-4-amine
CID 171504343
6-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(1,1-difluoro-2,3-dihydroinden-4-yl)ethyl]cinnolin-4-amine
CID 171503927
7-bromo-4-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]phthalazin-1-amine;4-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;(3S)-oxolan-3-ol
CID 160568838

Frequently Asked Questions

What is the IUPAC name of 7-[3-(azetidin-1-yl)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;7-[3-(dimethylamino)azepan-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;N-[(1R)-1-[4-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-piperidin-4-yloxyphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(3S)-pyrrolidin-3-yl]oxyphthalazin-1-amine?
The IUPAC name of 7-[3-(azetidin-1-yl)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;7-[3-(dimethylamino)azepan-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;N-[(1R)-1-[4-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-piperidin-4-yloxyphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(3S)-pyrrolidin-3-yl]oxyphthalazin-1-amine (CID 167626798) is 7-[3-(azetidin-1-yl)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;7-[3-(dimethylamino)azepan-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;N-[(1R)-1-[4-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-piperidin-4-yloxyphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(3S)-pyrrolidin-3-yl]oxyphthalazin-1-amine.
What is the SMILES notation for 7-[3-(azetidin-1-yl)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;7-[3-(dimethylamino)azepan-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;N-[(1R)-1-[4-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-piperidin-4-yloxyphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(3S)-pyrrolidin-3-yl]oxyphthalazin-1-amine?
The canonical SMILES for 7-[3-(azetidin-1-yl)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;7-[3-(dimethylamino)azepan-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;N-[(1R)-1-[4-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-piperidin-4-yloxyphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(3S)-pyrrolidin-3-yl]oxyphthalazin-1-amine is C[C@@H](Nc1nncc2ccc(N3CCOCC3)cc12)c1cc(-c2ccccc2CN(C)C)cs1.Cc1cccc([C@@H](C)Nc2nncc3ccc(N4CCCC(N5CCC5)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nncc3ccc(N4CCCCC(N(C)C)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nncc3ccc(OC4CCNCC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nncc3ccc(O[C@H]4CCNC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nncc3ccc(O[C@H]4CCOC4)cc23)c1C.
What is the InChIKey of 7-[3-(azetidin-1-yl)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;7-[3-(dimethylamino)azepan-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;N-[(1R)-1-[4-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-piperidin-4-yloxyphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(3S)-pyrrolidin-3-yl]oxyphthalazin-1-amine?
The InChIKey is NFJMNLXMNRCHSM-WCFKDCDZSA-N. The full InChI is InChI=1S/C27H31N5OS.C26H33N5.C26H35N5.C23H28N4O.C22H26N4O.C22H25N3O2/c1-19(26-14-22(18-34-26)24-7-5-4-6-21(24)17-31(2)3)29-27-25-15-23(32-10-12-33-13-11-32)9-8-20(25)16-28-30-27;1-18-7-4-9-24(19(18)2)20(3)28-26-25-15-22(11-10-21(25)16-27-29-26)31-12-5-8-23(17-31)30-13-6-14-30;1-18-9-8-11-24(19(18)2)20(3)28-26-25-15-22(13-12-21(25)16-27-29-26)31-14-7-6-10-23(17-31)30(4)5;1-15-5-4-6-21(16(15)2)17(3)26-23-22-13-20(8-7-18(22)14-25-27-23)28-19-9-11-24-12-10-19;1-14-5-4-6-20(15(14)2)16(3)25-22-21-11-18(27-19-9-10-23-13-19)8-7-17(21)12-24-26-22;1-14-5-4-6-20(15(14)2)16(3)24-22-21-11-18(27-19-9-10-26-13-19)8-7-17(21)12-23-25-22/h4-9,14-16,18-19H,10-13,17H2,1-3H3,(H,29,30);4,7,9-11,15-16,20,23H,5-6,8,12-14,17H2,1-3H3,(H,28,29);8-9,11-13,15-16,20,23H,6-7,10,14,17H2,1-5H3,(H,28,29);4-8,13-14,17,19,24H,9-12H2,1-3H3,(H,26,27);4-8,11-12,16,19,23H,9-10,13H2,1-3H3,(H,25,26);4-8,11-12,16,19H,9-10,13H2,1-3H3,(H,24,25)/t19-;2*20-,23?;17-;2*16-,19+/m111111/s1.
What are the key properties of 7-[3-(azetidin-1-yl)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;7-[3-(dimethylamino)azepan-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;N-[(1R)-1-[4-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-piperidin-4-yloxyphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(3S)-pyrrolidin-3-yl]oxyphthalazin-1-amine?
7-[3-(azetidin-1-yl)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;7-[3-(dimethylamino)azepan-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;N-[(1R)-1-[4-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-piperidin-4-yloxyphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(3S)-pyrrolidin-3-yl]oxyphthalazin-1-amine has a molecular weight of 2409.27 g/mol, XLogP of 29.16, 32 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(azetidin-1-yl)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;7-[3-(dimethylamino)azepan-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]phthalazin-1-amine;N-[(1R)-1-[4-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-piperidin-4-yloxyphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(3S)-pyrrolidin-3-yl]oxyphthalazin-1-amine is sourced from PubChem (CID 167626798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).