N,N,3,4-tetramethyl-2-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]pyrazolo[3,4-d]pyridazin-7-amine

C25H30N6O — CID 134576941

IUPACN,N,3,4-tetramethyl-2-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]pyrazolo[3,4-d]pyridazin-7-amine
SMILESCNCCC(Oc1ccccc1-n1nc2c(N(C)C)nnc(C)c2c1C)c1ccccc1
InChIInChI=1S/C25H30N6O/c1-17-23-18(2)31(29-24(23)25(28-27-17)30(4)5)20-13-9-10-14-22(20)32-21(15-16-26-3)19-11-7-6-8-12-19/h6-14,21,26H,15-16H2,1-5H3
InChIKeyWMRXTBAYGFYTSW-UHFFFAOYSA-N
MW430.56 g/mol
LogP4.23
Rot. Bonds8

About N,N,3,4-tetramethyl-2-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]pyrazolo[3,4-d]pyridazin-7-amine

N,N,3,4-tetramethyl-2-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]pyrazolo[3,4-d]pyridazin-7-amine (PubChem CID 134576941) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is N,N,3,4-tetramethyl-2-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]pyrazolo[3,4-d]pyridazin-7-amine.

Molecular Properties

Compound NameN,N,3,4-tetramethyl-2-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]pyrazolo[3,4-d]pyridazin-7-amine
PubChem CID134576941
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC NameN,N,3,4-tetramethyl-2-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]pyrazolo[3,4-d]pyridazin-7-amine
SMILESCNCCC(Oc1ccccc1-n1nc2c(N(C)C)nnc(C)c2c1C)c1ccccc1
InChIInChI=1S/C25H30N6O/c1-17-23-18(2)31(29-24(23)25(28-27-17)30(4)5)20-13-9-10-14-22(20)32-21(15-16-26-3)19-11-7-6-8-12-19/h6-14,21,26H,15-16H2,1-5H3
InChIKeyWMRXTBAYGFYTSW-UHFFFAOYSA-N
XLogP4.23
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N,N,3,4-tetramethyl-2-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]pyrazolo[3,4-d]pyridazin-7-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

N-(2-methoxyethyl)-N,3,4-trimethyl-2-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]pyrazolo[3,4-d]pyridazin-7-amine
CID 134576985
3-[1-[2-[7-(dimethylamino)-3,4-dimethylpyrazolo[3,4-d]pyridazin-2-yl]phenoxy]-3-(methylamino)propyl]benzonitrile
CID 134576921
3-[2-(3,4-dimethyl-7-propan-2-ylpyrazolo[3,4-d]pyridazin-2-yl)phenoxy]-N-methyl-3-phenylpropan-1-amine
CID 134576900
[3-[2-[7-(dimethylamino)-3,4-dimethylpyrazolo[3,4-d]pyridazin-2-yl]-5-ethoxyphenoxy]-3-phenylpropyl] N-methylcarbamate
CID 139486975
N,N,3,4-tetramethyl-2-[2-[(S)-morpholin-2-yl(phenyl)methoxy]phenyl]pyrazolo[3,4-d]pyridazin-7-amine
CID 139486951
2-[3-[(1S)-1-(2-fluorophenyl)-3-(methylamino)propoxy]phenyl]-N,N,3,4-tetramethylpyrazolo[3,4-d]pyridazin-7-amine;2-[3-[(1R)-1-(2-fluorophenyl)-3-(methylamino)propoxy]phenyl]-N,N,3,4-tetramethylpyrazolo[3,4-d]pyridazin-7-amine
CID 160987798
2-[3-[1-(2-fluorophenyl)-3-(methylamino)propoxy]phenyl]-N,N,3,4-tetramethylpyrazolo[3,4-d]pyridazin-7-amine
CID 134564116
[3-[3-[7-(dimethylamino)-3,4-dimethylpyrazolo[3,4-d]pyridazin-2-yl]phenoxy]-3-phenylpropyl] N-methylcarbamate
CID 134564228
2-[[2-[7-(dimethylamino)-3,4-dimethylpyrazolo[3,4-d]pyridazin-2-yl]phenoxy]methyl]benzaldehyde
CID 139486933
hydron;3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;chloride
CID 74765078
4-[1-[5-amino-6-(dimethylamino)-3-methylpyridazin-4-yl]ethylideneamino]-3-[3-(methylamino)-1-phenylpropoxy]phenol
CID 137299888
N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine;oxalic acid
CID 11609891

Frequently Asked Questions

What is the IUPAC name of N,N,3,4-tetramethyl-2-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]pyrazolo[3,4-d]pyridazin-7-amine?
The IUPAC name of N,N,3,4-tetramethyl-2-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]pyrazolo[3,4-d]pyridazin-7-amine (CID 134576941) is N,N,3,4-tetramethyl-2-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]pyrazolo[3,4-d]pyridazin-7-amine.
What is the SMILES notation for N,N,3,4-tetramethyl-2-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]pyrazolo[3,4-d]pyridazin-7-amine?
The canonical SMILES for N,N,3,4-tetramethyl-2-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]pyrazolo[3,4-d]pyridazin-7-amine is CNCCC(Oc1ccccc1-n1nc2c(N(C)C)nnc(C)c2c1C)c1ccccc1.
What is the InChIKey of N,N,3,4-tetramethyl-2-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]pyrazolo[3,4-d]pyridazin-7-amine?
The InChIKey is WMRXTBAYGFYTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O/c1-17-23-18(2)31(29-24(23)25(28-27-17)30(4)5)20-13-9-10-14-22(20)32-21(15-16-26-3)19-11-7-6-8-12-19/h6-14,21,26H,15-16H2,1-5H3.
What are the key properties of N,N,3,4-tetramethyl-2-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]pyrazolo[3,4-d]pyridazin-7-amine?
N,N,3,4-tetramethyl-2-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]pyrazolo[3,4-d]pyridazin-7-amine has a molecular weight of 430.56 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3,4-tetramethyl-2-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]pyrazolo[3,4-d]pyridazin-7-amine is sourced from PubChem (CID 134576941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).