5-(6-amino-4-chloro-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine

C15H14ClN7O — CID 139207773

IUPAC5-(6-amino-4-chloro-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
SMILESCC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(Cl)nc(N)nc21
InChIInChI=1S/C15H14ClN7O/c1-6(2)23-13-10(12(16)20-14(17)21-13)11(22-23)7-3-4-9-8(5-7)19-15(18)24-9/h3-6H,1-2H3,(H2,18,19)(H2,17,20,21)
InChIKeyYDFGZXSSYDSJRM-UHFFFAOYSA-N
MW343.78 g/mol
LogP3.03
Rot. Bonds2

About 5-(6-amino-4-chloro-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine

5-(6-amino-4-chloro-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine (PubChem CID 139207773) has the molecular formula C15H14ClN7O and a molecular weight of 343.78 g/mol. Its IUPAC name is 5-(6-amino-4-chloro-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-(6-amino-4-chloro-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
PubChem CID139207773
Molecular FormulaC15H14ClN7O
Molecular Weight343.78 g/mol
Exact Mass343.09
IUPAC Name5-(6-amino-4-chloro-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
SMILESCC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(Cl)nc(N)nc21
InChIInChI=1S/C15H14ClN7O/c1-6(2)23-13-10(12(16)20-14(17)21-13)11(22-23)7-3-4-9-8(5-7)19-15(18)24-9/h3-6H,1-2H3,(H2,18,19)(H2,17,20,21)
InChIKeyYDFGZXSSYDSJRM-UHFFFAOYSA-N
XLogP3.03
TPSA121.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.78
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-(6-amino-4-chloro-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(6-amino-4-chloro-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of 5-(6-amino-4-chloro-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine (CID 139207773) is 5-(6-amino-4-chloro-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-(6-amino-4-chloro-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-(6-amino-4-chloro-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine is CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(Cl)nc(N)nc21.
What is the InChIKey of 5-(6-amino-4-chloro-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine?
The InChIKey is YDFGZXSSYDSJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN7O/c1-6(2)23-13-10(12(16)20-14(17)21-13)11(22-23)7-3-4-9-8(5-7)19-15(18)24-9/h3-6H,1-2H3,(H2,18,19)(H2,17,20,21).
What are the key properties of 5-(6-amino-4-chloro-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine?
5-(6-amino-4-chloro-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine has a molecular weight of 343.78 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-amino-4-chloro-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 139207773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).