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

C27H34N6O2 — CID 134576985

IUPACN-(2-methoxyethyl)-N,3,4-trimethyl-2-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]pyrazolo[3,4-d]pyridazin-7-amine
SMILESCNCCC(Oc1ccccc1-n1nc2c(N(C)CCOC)nnc(C)c2c1C)c1ccccc1
InChIInChI=1S/C27H34N6O2/c1-19-25-20(2)33(31-26(25)27(30-29-19)32(4)17-18-34-5)22-13-9-10-14-24(22)35-23(15-16-28-3)21-11-7-6-8-12-21/h6-14,23,28H,15-18H2,1-5H3
InChIKeyDEGIHDRYDBMOCB-UHFFFAOYSA-N
MW474.61 g/mol
LogP4.24
Rot. Bonds11

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

N-(2-methoxyethyl)-N,3,4-trimethyl-2-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]pyrazolo[3,4-d]pyridazin-7-amine (PubChem CID 134576985) has the molecular formula C27H34N6O2 and a molecular weight of 474.61 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N,3,4-trimethyl-2-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]pyrazolo[3,4-d]pyridazin-7-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N,3,4-trimethyl-2-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]pyrazolo[3,4-d]pyridazin-7-amine
PubChem CID134576985
Molecular FormulaC27H34N6O2
Molecular Weight474.61 g/mol
Exact Mass474.27
IUPAC NameN-(2-methoxyethyl)-N,3,4-trimethyl-2-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]pyrazolo[3,4-d]pyridazin-7-amine
SMILESCNCCC(Oc1ccccc1-n1nc2c(N(C)CCOC)nnc(C)c2c1C)c1ccccc1
InChIInChI=1S/C27H34N6O2/c1-19-25-20(2)33(31-26(25)27(30-29-19)32(4)17-18-34-5)22-13-9-10-14-24(22)35-23(15-16-28-3)21-11-7-6-8-12-21/h6-14,23,28H,15-18H2,1-5H3
InChIKeyDEGIHDRYDBMOCB-UHFFFAOYSA-N
XLogP4.24
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(2-methoxyethyl)-N,3,4-trimethyl-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,N,3,4-tetramethyl-2-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]pyrazolo[3,4-d]pyridazin-7-amine
CID 134576941
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-[1-[2-[7-(dimethylamino)-3,4-dimethylpyrazolo[3,4-d]pyridazin-2-yl]phenoxy]-3-(methylamino)propyl]benzonitrile
CID 134576921
[3-[2-[7-(dimethylamino)-3,4-dimethylpyrazolo[3,4-d]pyridazin-2-yl]-5-ethoxyphenoxy]-3-phenylpropyl] N-methylcarbamate
CID 139486975
[3-[3-[7-(dimethylamino)-3,4-dimethylpyrazolo[3,4-d]pyridazin-2-yl]phenoxy]-3-phenylpropyl] N-methylcarbamate
CID 134564228
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-[1-(2-fluorophenyl)-3-(methylamino)propoxy]phenyl]-N,N,3,4-tetramethylpyrazolo[3,4-d]pyridazin-7-amine
CID 134564116
hydron;3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;chloride
CID 74765078
bis(3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine);3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine
CID 67629133
2-[[2-[7-(dimethylamino)-3,4-dimethylpyrazolo[3,4-d]pyridazin-2-yl]phenoxy]methyl]benzaldehyde
CID 139486933
N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine;oxalic acid
CID 11609891
3-(2-ethylsulfanylphenoxy)-N-methyl-3-phenylpropan-1-amine
CID 19102986

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N,3,4-trimethyl-2-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]pyrazolo[3,4-d]pyridazin-7-amine?
The IUPAC name of N-(2-methoxyethyl)-N,3,4-trimethyl-2-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]pyrazolo[3,4-d]pyridazin-7-amine (CID 134576985) is N-(2-methoxyethyl)-N,3,4-trimethyl-2-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]pyrazolo[3,4-d]pyridazin-7-amine.
What is the SMILES notation for N-(2-methoxyethyl)-N,3,4-trimethyl-2-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]pyrazolo[3,4-d]pyridazin-7-amine?
The canonical SMILES for N-(2-methoxyethyl)-N,3,4-trimethyl-2-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]pyrazolo[3,4-d]pyridazin-7-amine is CNCCC(Oc1ccccc1-n1nc2c(N(C)CCOC)nnc(C)c2c1C)c1ccccc1.
What is the InChIKey of N-(2-methoxyethyl)-N,3,4-trimethyl-2-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]pyrazolo[3,4-d]pyridazin-7-amine?
The InChIKey is DEGIHDRYDBMOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O2/c1-19-25-20(2)33(31-26(25)27(30-29-19)32(4)17-18-34-5)22-13-9-10-14-24(22)35-23(15-16-28-3)21-11-7-6-8-12-21/h6-14,23,28H,15-18H2,1-5H3.
What are the key properties of N-(2-methoxyethyl)-N,3,4-trimethyl-2-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]pyrazolo[3,4-d]pyridazin-7-amine?
N-(2-methoxyethyl)-N,3,4-trimethyl-2-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]pyrazolo[3,4-d]pyridazin-7-amine has a molecular weight of 474.61 g/mol, XLogP of 4.24, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N,3,4-trimethyl-2-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]pyrazolo[3,4-d]pyridazin-7-amine is sourced from PubChem (CID 134576985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).