5-chloro-3-(methoxymethyl)-N-(4-methyl-2-pyridinyl)-1-(2-propoxyethyl)pyrazolo[4,5-d]pyrimidin-7-amine

C18H23ClN6O2 — CID 58935524

IUPAC5-chloro-3-(methoxymethyl)-N-(4-methyl-2-pyridinyl)-1-(2-propoxyethyl)pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCCOCCn1nc(COC)c2nc(Cl)nc(Nc3cc(C)ccn3)c21
InChIInChI=1S/C18H23ClN6O2/c1-4-8-27-9-7-25-16-15(13(24-25)11-26-3)22-18(19)23-17(16)21-14-10-12(2)5-6-20-14/h5-6,10H,4,7-9,11H2,1-3H3,(H,20,21,22,23)
InChIKeyVXOJKJVBBHDOEJ-UHFFFAOYSA-N
MW390.88 g/mol
LogP3.50
Rot. Bonds9

About 5-chloro-3-(methoxymethyl)-N-(4-methyl-2-pyridinyl)-1-(2-propoxyethyl)pyrazolo[4,5-d]pyrimidin-7-amine

5-chloro-3-(methoxymethyl)-N-(4-methyl-2-pyridinyl)-1-(2-propoxyethyl)pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 58935524) has the molecular formula C18H23ClN6O2 and a molecular weight of 390.88 g/mol. Its IUPAC name is 5-chloro-3-(methoxymethyl)-N-(4-methyl-2-pyridinyl)-1-(2-propoxyethyl)pyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-3-(methoxymethyl)-N-(4-methyl-2-pyridinyl)-1-(2-propoxyethyl)pyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID58935524
Molecular FormulaC18H23ClN6O2
Molecular Weight390.88 g/mol
Exact Mass390.16
IUPAC Name5-chloro-3-(methoxymethyl)-N-(4-methyl-2-pyridinyl)-1-(2-propoxyethyl)pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCCOCCn1nc(COC)c2nc(Cl)nc(Nc3cc(C)ccn3)c21
InChIInChI=1S/C18H23ClN6O2/c1-4-8-27-9-7-25-16-15(13(24-25)11-26-3)22-18(19)23-17(16)21-14-10-12(2)5-6-20-14/h5-6,10H,4,7-9,11H2,1-3H3,(H,20,21,22,23)
InChIKeyVXOJKJVBBHDOEJ-UHFFFAOYSA-N
XLogP3.50
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.88
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-chloro-3-(methoxymethyl)-N-(4-methyl-2-pyridinyl)-1-(2-propoxyethyl)pyrazolo[4,5-d]pyrimidin-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

5-chloro-3-(methoxymethyl)-1-(2-propoxyethyl)-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine
CID 87799916
5-chloro-3-ethyl-1-(2-methoxyethyl)-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 58935651
5-chloro-3-(chloromethyl)-N-(4-methyl-2-pyridinyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[4,5-d]pyrimidin-7-amine
CID 58935461
5-chloro-3-ethyl-N-(4-methyl-2-pyridinyl)-1-propylpyrazolo[4,5-d]pyrimidin-7-amine;propane
CID 143221039
1-(2-ethoxyethyl)-3-ethyl-5-methyl-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 70999666
1-(2-ethoxyethyl)-3-(methoxymethyl)-5-[(3R)-3-methylpiperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 11385153
5-chloro-1-(2-ethoxyethyl)-N-(6-ethyl-2-pyridinyl)-3-(methoxymethyl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 87800608
5-chloro-3-ethyl-N-(2-methylpyrimidin-4-yl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[4,5-d]pyrimidin-7-amine
CID 58935509
2-[[1-(2-ethoxyethyl)-3-(methylaminomethyl)-7-[(4-methyl-2-pyridinyl)amino]pyrazolo[4,5-d]pyrimidin-5-yl]methylamino]ethanol
CID 69051990
1-(2-ethoxyethyl)-3-(ethoxymethyl)-5-(3-methylpiperazin-1-yl)-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine;dihydrochloride
CID 68889438
1-(2-ethoxyethyl)-N-ethyl-5-(ethylamino)-7-[(4-methyl-2-pyridinyl)amino]pyrazolo[4,5-d]pyrimidine-3-carboxamide
CID 11292843
5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-1-(2-ethoxyethyl)-3-ethyl-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 68925751

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(methoxymethyl)-N-(4-methyl-2-pyridinyl)-1-(2-propoxyethyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 5-chloro-3-(methoxymethyl)-N-(4-methyl-2-pyridinyl)-1-(2-propoxyethyl)pyrazolo[4,5-d]pyrimidin-7-amine (CID 58935524) is 5-chloro-3-(methoxymethyl)-N-(4-methyl-2-pyridinyl)-1-(2-propoxyethyl)pyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-3-(methoxymethyl)-N-(4-methyl-2-pyridinyl)-1-(2-propoxyethyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-3-(methoxymethyl)-N-(4-methyl-2-pyridinyl)-1-(2-propoxyethyl)pyrazolo[4,5-d]pyrimidin-7-amine is CCCOCCn1nc(COC)c2nc(Cl)nc(Nc3cc(C)ccn3)c21.
What is the InChIKey of 5-chloro-3-(methoxymethyl)-N-(4-methyl-2-pyridinyl)-1-(2-propoxyethyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is VXOJKJVBBHDOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN6O2/c1-4-8-27-9-7-25-16-15(13(24-25)11-26-3)22-18(19)23-17(16)21-14-10-12(2)5-6-20-14/h5-6,10H,4,7-9,11H2,1-3H3,(H,20,21,22,23).
What are the key properties of 5-chloro-3-(methoxymethyl)-N-(4-methyl-2-pyridinyl)-1-(2-propoxyethyl)pyrazolo[4,5-d]pyrimidin-7-amine?
5-chloro-3-(methoxymethyl)-N-(4-methyl-2-pyridinyl)-1-(2-propoxyethyl)pyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 390.88 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(methoxymethyl)-N-(4-methyl-2-pyridinyl)-1-(2-propoxyethyl)pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 58935524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).