4-methyl-N-[(1R)-1-[5-[3-methyl-2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine

C27H32N6OS — CID 161385471

IUPAC4-methyl-N-[(1R)-1-[5-[3-methyl-2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine
SMILESCNCc1c(C)cccc1-c1ccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCOCC4)cc23)s1
InChIInChI=1S/C27H32N6OS/c1-17-6-5-7-20(22(17)15-28-4)25-9-8-24(35-25)19(3)30-27-21-14-26(33-10-12-34-13-11-33)29-16-23(21)18(2)31-32-27/h5-9,14,16,19,28H,10-13,15H2,1-4H3,(H,30,32)/t19-/m1/s1
InChIKeyOPPFGPIGNSXEFB-LJQANCHMSA-N
MW488.66 g/mol
LogP5.10
Rot. Bonds7

About 4-methyl-N-[(1R)-1-[5-[3-methyl-2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine

4-methyl-N-[(1R)-1-[5-[3-methyl-2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine (PubChem CID 161385471) has the molecular formula C27H32N6OS and a molecular weight of 488.66 g/mol. Its IUPAC name is 4-methyl-N-[(1R)-1-[5-[3-methyl-2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine.

Molecular Properties

Compound Name4-methyl-N-[(1R)-1-[5-[3-methyl-2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine
PubChem CID161385471
Molecular FormulaC27H32N6OS
Molecular Weight488.66 g/mol
Exact Mass488.24
IUPAC Name4-methyl-N-[(1R)-1-[5-[3-methyl-2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine
SMILESCNCc1c(C)cccc1-c1ccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCOCC4)cc23)s1
InChIInChI=1S/C27H32N6OS/c1-17-6-5-7-20(22(17)15-28-4)25-9-8-24(35-25)19(3)30-27-21-14-26(33-10-12-34-13-11-33)29-16-23(21)18(2)31-32-27/h5-9,14,16,19,28H,10-13,15H2,1-4H3,(H,30,32)/t19-/m1/s1
InChIKeyOPPFGPIGNSXEFB-LJQANCHMSA-N
XLogP5.10
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.66
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-methyl-N-[(1R)-1-[5-[3-methyl-2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-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

tert-butyl N-[[2-[5-[(1R)-1-aminoethyl]thiophen-2-yl]phenyl]methyl]-N-methylcarbamate;tert-butyl N-methyl-N-[[2-[5-[(1R)-1-[(4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-yl)amino]ethyl]thiophen-2-yl]phenyl]methyl]carbamate;4-(1-chloro-4-methylpyrido[3,4-d]pyridazin-7-yl)morpholine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine
CID 162045574
N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine
CID 158039526
N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine
CID 176710261
3-[(1R)-1-[[7-(azetidin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-yl]amino]ethyl]-2-methylbenzonitrile
CID 176638304
7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine
CID 159702275
N-[(1R)-1-(3,3-difluoro-2H-1-benzofuran-7-yl)ethyl]-4-methyl-7-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyridazin-1-amine
CID 176638241
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
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-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)pyrido[3,4-d]pyridazin-1-yl]amino]ethyl]benzonitrile
CID 176638136
7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(2,3-difluorophenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine
CID 159216239
N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-(6-methyl-2-azaspiro[3.3]heptan-2-yl)pyrido[3,4-d]pyridazin-1-amine
CID 167638411
6-fluoro-2-methyl-N-[1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]pyrido[3,4-d]pyrimidin-4-amine
CID 146197378

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1R)-1-[5-[3-methyl-2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine?
The IUPAC name of 4-methyl-N-[(1R)-1-[5-[3-methyl-2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine (CID 161385471) is 4-methyl-N-[(1R)-1-[5-[3-methyl-2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine.
What is the SMILES notation for 4-methyl-N-[(1R)-1-[5-[3-methyl-2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine?
The canonical SMILES for 4-methyl-N-[(1R)-1-[5-[3-methyl-2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine is CNCc1c(C)cccc1-c1ccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCOCC4)cc23)s1.
What is the InChIKey of 4-methyl-N-[(1R)-1-[5-[3-methyl-2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine?
The InChIKey is OPPFGPIGNSXEFB-LJQANCHMSA-N. The full InChI is InChI=1S/C27H32N6OS/c1-17-6-5-7-20(22(17)15-28-4)25-9-8-24(35-25)19(3)30-27-21-14-26(33-10-12-34-13-11-33)29-16-23(21)18(2)31-32-27/h5-9,14,16,19,28H,10-13,15H2,1-4H3,(H,30,32)/t19-/m1/s1.
What are the key properties of 4-methyl-N-[(1R)-1-[5-[3-methyl-2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine?
4-methyl-N-[(1R)-1-[5-[3-methyl-2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine has a molecular weight of 488.66 g/mol, XLogP of 5.10, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1R)-1-[5-[3-methyl-2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine is sourced from PubChem (CID 161385471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).