N-[[3-(2-methoxyethoxy)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine

C18H22N4O2 — CID 75400539

IUPACN-[[3-(2-methoxyethoxy)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
SMILESCOCCOc1cccc(CNc2cnc3c(c2)c(C)nn3C)c1
InChIInChI=1S/C18H22N4O2/c1-13-17-10-15(12-20-18(17)22(2)21-13)19-11-14-5-4-6-16(9-14)24-8-7-23-3/h4-6,9-10,12,19H,7-8,11H2,1-3H3
InChIKeyOPHCCNUNFIQUMX-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.91
Rot. Bonds7

About N-[[3-(2-methoxyethoxy)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine

N-[[3-(2-methoxyethoxy)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine (PubChem CID 75400539) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[[3-(2-methoxyethoxy)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine.

Molecular Properties

Compound NameN-[[3-(2-methoxyethoxy)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
PubChem CID75400539
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[[3-(2-methoxyethoxy)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
SMILESCOCCOc1cccc(CNc2cnc3c(c2)c(C)nn3C)c1
InChIInChI=1S/C18H22N4O2/c1-13-17-10-15(12-20-18(17)22(2)21-13)19-11-14-5-4-6-16(9-14)24-8-7-23-3/h4-6,9-10,12,19H,7-8,11H2,1-3H3
InChIKeyOPHCCNUNFIQUMX-UHFFFAOYSA-N
XLogP2.91
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[3-(2-methoxyethoxy)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-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

3-(2-methoxyethoxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 60935772
5-bromo-N-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-3-amine
CID 133318444
1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridin-5-amine
CID 43725592
1,3-dimethyl-N-[(2-methylphenyl)methyl]pyrazolo[5,4-b]pyridin-5-amine
CID 43725573
3-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]methyl]benzene-1,2-diol
CID 61319914
N-[(2,3-difluorophenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
CID 63668922
N-[(3,4-dimethylphenyl)methyl]-3-(2-methoxyethoxy)aniline
CID 60935517
2-chloro-N-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-4-amine
CID 133374314
4-(2-methoxyethoxy)-N-[(3-methoxyphenyl)methyl]aniline
CID 43734134
1,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[5,4-b]pyridin-5-amine
CID 62356069
1,3-dimethyl-N-(2-phenylpropyl)pyrazolo[5,4-b]pyridin-5-amine
CID 43725542
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 54847698

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxyethoxy)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine?
The IUPAC name of N-[[3-(2-methoxyethoxy)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine (CID 75400539) is N-[[3-(2-methoxyethoxy)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine.
What is the SMILES notation for N-[[3-(2-methoxyethoxy)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine?
The canonical SMILES for N-[[3-(2-methoxyethoxy)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine is COCCOc1cccc(CNc2cnc3c(c2)c(C)nn3C)c1.
What is the InChIKey of N-[[3-(2-methoxyethoxy)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine?
The InChIKey is OPHCCNUNFIQUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13-17-10-15(12-20-18(17)22(2)21-13)19-11-14-5-4-6-16(9-14)24-8-7-23-3/h4-6,9-10,12,19H,7-8,11H2,1-3H3.
What are the key properties of N-[[3-(2-methoxyethoxy)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine?
N-[[3-(2-methoxyethoxy)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine has a molecular weight of 326.40 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxyethoxy)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine is sourced from PubChem (CID 75400539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).