5-(4-morpholin-4-yl-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)-1,3-benzoxazol-2-amine

C21H24N8O2 — CID 70798765

IUPAC5-(4-morpholin-4-yl-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(-c3nc(N4CCOCC4)c4cnn(C5CCNCC5)c4n3)ccc2o1
InChIInChI=1S/C21H24N8O2/c22-21-25-16-11-13(1-2-17(16)31-21)18-26-19(28-7-9-30-10-8-28)15-12-24-29(20(15)27-18)14-3-5-23-6-4-14/h1-2,11-12,14,23H,3-10H2,(H2,22,25)
InChIKeyGUUPBMDRYXGETB-UHFFFAOYSA-N
MW420.48 g/mol
LogP1.98
Rot. Bonds3

About 5-(4-morpholin-4-yl-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)-1,3-benzoxazol-2-amine

5-(4-morpholin-4-yl-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)-1,3-benzoxazol-2-amine (PubChem CID 70798765) has the molecular formula C21H24N8O2 and a molecular weight of 420.48 g/mol. Its IUPAC name is 5-(4-morpholin-4-yl-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-(4-morpholin-4-yl-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)-1,3-benzoxazol-2-amine
PubChem CID70798765
Molecular FormulaC21H24N8O2
Molecular Weight420.48 g/mol
Exact Mass420.20
IUPAC Name5-(4-morpholin-4-yl-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(-c3nc(N4CCOCC4)c4cnn(C5CCNCC5)c4n3)ccc2o1
InChIInChI=1S/C21H24N8O2/c22-21-25-16-11-13(1-2-17(16)31-21)18-26-19(28-7-9-30-10-8-28)15-12-24-29(20(15)27-18)14-3-5-23-6-4-14/h1-2,11-12,14,23H,3-10H2,(H2,22,25)
InChIKeyGUUPBMDRYXGETB-UHFFFAOYSA-N
XLogP1.98
TPSA120.15 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-(4-morpholin-4-yl-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of 5-(4-morpholin-4-yl-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)-1,3-benzoxazol-2-amine (CID 70798765) is 5-(4-morpholin-4-yl-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-(4-morpholin-4-yl-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-(4-morpholin-4-yl-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)-1,3-benzoxazol-2-amine is Nc1nc2cc(-c3nc(N4CCOCC4)c4cnn(C5CCNCC5)c4n3)ccc2o1.
What is the InChIKey of 5-(4-morpholin-4-yl-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)-1,3-benzoxazol-2-amine?
The InChIKey is GUUPBMDRYXGETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8O2/c22-21-25-16-11-13(1-2-17(16)31-21)18-26-19(28-7-9-30-10-8-28)15-12-24-29(20(15)27-18)14-3-5-23-6-4-14/h1-2,11-12,14,23H,3-10H2,(H2,22,25).
What are the key properties of 5-(4-morpholin-4-yl-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)-1,3-benzoxazol-2-amine?
5-(4-morpholin-4-yl-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)-1,3-benzoxazol-2-amine has a molecular weight of 420.48 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-morpholin-4-yl-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 70798765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).