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

C156H200N30 — CID 167604064

IUPAC7-[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
SMILESCc1cccc([C@@H](C)Nc2nncc3ccc(N4CC5(CC(N(C)C)C5)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nncc3ccc(N4CC5CCN(C)CC5C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nncc3ccc(N4CCC5(CCCN(C)C5)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nncc3ccc(N4CCC5C(CCN5C)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nncc3ccc(N4CCC5CCN(C)C5C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nncc3ccc(N4CCCC(N(C)C)C4)cc23)c1C
InChIInChI=1S/C27H35N5.4C26H33N5.C25H33N5/c1-19-7-5-8-24(20(19)2)21(3)29-26-25-15-23(10-9-22(25)16-28-30-26)32-14-12-27(18-32)11-6-13-31(4)17-27;1-17-7-6-8-23(18(17)2)19(3)28-25-24-11-21(10-9-20(24)14-27-29-25)31-15-26(16-31)12-22(13-26)30(4)5;1-17-6-5-7-23(18(17)2)19(3)28-26-24-14-22(9-8-21(24)15-27-29-26)31-13-11-20-10-12-30(4)25(20)16-31;1-17-6-5-7-23(18(17)2)19(3)28-26-24-14-22(9-8-20(24)15-27-29-26)31-13-11-25-21(16-31)10-12-30(25)4;1-17-6-5-7-24(18(17)2)19(3)28-26-25-12-23(9-8-20(25)13-27-29-26)31-15-21-10-11-30(4)14-22(21)16-31;1-17-8-6-10-23(18(17)2)19(3)27-25-24-14-21(12-11-20(24)15-26-28-25)30-13-7-9-22(16-30)29(4)5/h5,7-10,15-16,21H,6,11-14,17-18H2,1-4H3,(H,29,30);6-11,14,19,22H,12-13,15-16H2,1-5H3,(H,28,29);5-9,14-15,19-20,25H,10-13,16H2,1-4H3,(H,28,29);5-9,14-15,19,21,25H,10-13,16H2,1-4H3,(H,28,29);5-9,12-13,19,21-22H,10-11,14-16H2,1-4H3,(H,28,29);6,8,10-12,14-15,19,22H,7,9,13,16H2,1-5H3,(H,27,28)/t21-,27?;19-;19-,20?,25?;19-,21?,25?;19-,21?,22?;19-,22?/m111111/s1
InChIKeyKDHGZSNTTPGDNA-CYEQPVNSSA-N
MW2495.53 g/mol
LogP29.95
Rot. Bonds26

About 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

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 (PubChem CID 167604064) has the molecular formula C156H200N30 and a molecular weight of 2495.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[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
PubChem CID167604064
Molecular FormulaC156H200N30
Molecular Weight2495.53 g/mol
Exact Mass2493.66
IUPAC Name7-[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
SMILESCc1cccc([C@@H](C)Nc2nncc3ccc(N4CC5(CC(N(C)C)C5)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nncc3ccc(N4CC5CCN(C)CC5C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nncc3ccc(N4CCC5(CCCN(C)C5)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nncc3ccc(N4CCC5C(CCN5C)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nncc3ccc(N4CCC5CCN(C)C5C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nncc3ccc(N4CCCC(N(C)C)C4)cc23)c1C
InChIInChI=1S/C27H35N5.4C26H33N5.C25H33N5/c1-19-7-5-8-24(20(19)2)21(3)29-26-25-15-23(10-9-22(25)16-28-30-26)32-14-12-27(18-32)11-6-13-31(4)17-27;1-17-7-6-8-23(18(17)2)19(3)28-25-24-11-21(10-9-20(24)14-27-29-25)31-15-26(16-31)12-22(13-26)30(4)5;1-17-6-5-7-23(18(17)2)19(3)28-26-24-14-22(9-8-21(24)15-27-29-26)31-13-11-20-10-12-30(4)25(20)16-31;1-17-6-5-7-23(18(17)2)19(3)28-26-24-14-22(9-8-20(24)15-27-29-26)31-13-11-25-21(16-31)10-12-30(25)4;1-17-6-5-7-24(18(17)2)19(3)28-26-25-12-23(9-8-20(25)13-27-29-26)31-15-21-10-11-30(4)14-22(21)16-31;1-17-8-6-10-23(18(17)2)19(3)27-25-24-14-21(12-11-20(24)15-26-28-25)30-13-7-9-22(16-30)29(4)5/h5,7-10,15-16,21H,6,11-14,17-18H2,1-4H3,(H,29,30);6-11,14,19,22H,12-13,15-16H2,1-5H3,(H,28,29);5-9,14-15,19-20,25H,10-13,16H2,1-4H3,(H,28,29);5-9,14-15,19,21,25H,10-13,16H2,1-4H3,(H,28,29);5-9,12-13,19,21-22H,10-11,14-16H2,1-4H3,(H,28,29);6,8,10-12,14-15,19,22H,7,9,13,16H2,1-5H3,(H,27,28)/t21-,27?;19-;19-,20?,25?;19-,21?,25?;19-,21?,22?;19-,22?/m111111/s1
InChIKeyKDHGZSNTTPGDNA-CYEQPVNSSA-N
XLogP29.95
TPSA265.74 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds26
Heavy Atoms186
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002495.53
LogP ≤ 529.95
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Analyze 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 with MolForge

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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-methyl-3-(trifluoromethyl)phenyl]propyl]phthalazin-1-amine
CID 170266633
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
N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)pyrido[3,4-d]pyridazin-1-amine
CID 157357355
cyclopropyl-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]methanone;7-[(3R)-3-(dimethylamino)pyrrolidin-1-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-fluoro-3-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;2-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]ethanol;1-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]ethanone;N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)pyrido[3,4-d]pyridazin-1-amine
CID 160546391
7-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-2-yl]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]phthalazin-1-amine
CID 156527243
1-[4-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]-3-methylazetidin-3-ol
CID 158695860
3-[(1R)-1-[[7-[3-(dimethylamino)azetidin-1-yl]-4-methylphthalazin-1-yl]amino]ethyl]-2-methylbenzonitrile;hydrochloride
CID 168845629
N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(6-methyl-2-azaspiro[3.3]heptan-2-yl)pyrido[3,4-d]pyridazin-1-amine
CID 167607198
N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-[4-(dimethylamino)piperidin-1-yl]cinnolin-4-amine
CID 171503953
3-[(1R)-1-[[7-[3-(dimethylamino)pyrrolidin-1-yl]-4-methylpyrido[3,4-d]pyridazin-1-yl]amino]ethyl]-2-methylbenzonitrile
CID 174223521
tert-butyl (3S)-3-[4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]phthalazin-6-yl]oxypyrrolidine-1-carboxylate
CID 162452456

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cccc([C@@H](C)Nc2nncc3ccc(N4CC5(CC(N(C)C)C5)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nncc3ccc(N4CC5CCN(C)CC5C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nncc3ccc(N4CCC5(CCCN(C)C5)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nncc3ccc(N4CCC5C(CCN5C)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nncc3ccc(N4CCC5CCN(C)C5C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nncc3ccc(N4CCCC(N(C)C)C4)cc23)c1C.
What is the InChIKey of 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?
The InChIKey is KDHGZSNTTPGDNA-CYEQPVNSSA-N. The full InChI is InChI=1S/C27H35N5.4C26H33N5.C25H33N5/c1-19-7-5-8-24(20(19)2)21(3)29-26-25-15-23(10-9-22(25)16-28-30-26)32-14-12-27(18-32)11-6-13-31(4)17-27;1-17-7-6-8-23(18(17)2)19(3)28-25-24-11-21(10-9-20(24)14-27-29-25)31-15-26(16-31)12-22(13-26)30(4)5;1-17-6-5-7-23(18(17)2)19(3)28-26-24-14-22(9-8-21(24)15-27-29-26)31-13-11-20-10-12-30(4)25(20)16-31;1-17-6-5-7-23(18(17)2)19(3)28-26-24-14-22(9-8-20(24)15-27-29-26)31-13-11-25-21(16-31)10-12-30(25)4;1-17-6-5-7-24(18(17)2)19(3)28-26-25-12-23(9-8-20(25)13-27-29-26)31-15-21-10-11-30(4)14-22(21)16-31;1-17-8-6-10-23(18(17)2)19(3)27-25-24-14-21(12-11-20(24)15-26-28-25)30-13-7-9-22(16-30)29(4)5/h5,7-10,15-16,21H,6,11-14,17-18H2,1-4H3,(H,29,30);6-11,14,19,22H,12-13,15-16H2,1-5H3,(H,28,29);5-9,14-15,19-20,25H,10-13,16H2,1-4H3,(H,28,29);5-9,14-15,19,21,25H,10-13,16H2,1-4H3,(H,28,29);5-9,12-13,19,21-22H,10-11,14-16H2,1-4H3,(H,28,29);6,8,10-12,14-15,19,22H,7,9,13,16H2,1-5H3,(H,27,28)/t21-,27?;19-;19-,20?,25?;19-,21?,25?;19-,21?,22?;19-,22?/m111111/s1.
What are the key properties of 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?
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 has a molecular weight of 2495.53 g/mol, XLogP of 29.95, 26 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167604064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).