N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-5-(1,3-oxazol-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine

C14H13ClN8O2 — CID 118380657

IUPACN-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-5-(1,3-oxazol-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCOCCn1ncc(Nc2nc(-c3ncco3)nc3cn[nH]c23)c1Cl
InChIInChI=1S/C14H13ClN8O2/c1-24-5-3-23-11(15)9(7-18-23)20-12-10-8(6-17-22-10)19-13(21-12)14-16-2-4-25-14/h2,4,6-7H,3,5H2,1H3,(H,17,22)(H,19,20,21)
InChIKeyMGXKAWZLVDQAAX-UHFFFAOYSA-N
MW360.77 g/mol
LogP2.25
Rot. Bonds6

About N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-5-(1,3-oxazol-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine

N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-5-(1,3-oxazol-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 118380657) has the molecular formula C14H13ClN8O2 and a molecular weight of 360.77 g/mol. Its IUPAC name is N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-5-(1,3-oxazol-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-5-(1,3-oxazol-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID118380657
Molecular FormulaC14H13ClN8O2
Molecular Weight360.77 g/mol
Exact Mass360.08
IUPAC NameN-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-5-(1,3-oxazol-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCOCCn1ncc(Nc2nc(-c3ncco3)nc3cn[nH]c23)c1Cl
InChIInChI=1S/C14H13ClN8O2/c1-24-5-3-23-11(15)9(7-18-23)20-12-10-8(6-17-22-10)19-13(21-12)14-16-2-4-25-14/h2,4,6-7H,3,5H2,1H3,(H,17,22)(H,19,20,21)
InChIKeyMGXKAWZLVDQAAX-UHFFFAOYSA-N
XLogP2.25
TPSA119.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.77
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-5-(1,3-oxazol-2-yl)-1H-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

N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-5-cyclobutyl-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 90104465
N-[5-fluoro-1-(2-methoxyethyl)pyrazol-4-yl]-5-(furan-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 90104972
4-N-[5-(furan-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-yl]-1-(2-methoxyethyl)-5-N,5-N-dimethylpyrazole-4,5-diamine
CID 90104284
N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-7-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-amine
CID 90103691
N-(1,5-dimethylpyrazol-4-yl)-5-(furan-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 90106308
5-(cyclobutadienyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 90104154
7-chloro-5-[1-(2-methoxyethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidine
CID 90103823
4-chloro-2-(2-methoxyethyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridazin-3-one
CID 115744819
4-chloro-5-[2-(dimethylamino)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one
CID 115573762
4-chloro-2-(2-methoxyethyl)-5-(3-methylbutan-2-ylamino)pyridazin-3-one
CID 115619375
4-chloro-2-(2-methoxyethyl)-5-[2-(2-methylpyrazol-3-yl)ethylamino]pyridazin-3-one
CID 104696007
(5-amino-1H-pyrazol-4-yl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
CID 114643980

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-5-(1,3-oxazol-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-5-(1,3-oxazol-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine (CID 118380657) is N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-5-(1,3-oxazol-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-5-(1,3-oxazol-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-5-(1,3-oxazol-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine is COCCn1ncc(Nc2nc(-c3ncco3)nc3cn[nH]c23)c1Cl.
What is the InChIKey of N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-5-(1,3-oxazol-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is MGXKAWZLVDQAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN8O2/c1-24-5-3-23-11(15)9(7-18-23)20-12-10-8(6-17-22-10)19-13(21-12)14-16-2-4-25-14/h2,4,6-7H,3,5H2,1H3,(H,17,22)(H,19,20,21).
What are the key properties of N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-5-(1,3-oxazol-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-5-(1,3-oxazol-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 360.77 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-5-(1,3-oxazol-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 118380657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).