3-(2-amino-1,3-benzoxazol-5-yl)-6-(dimethylamino)-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C17H19N7O2 — CID 155522182

IUPAC3-(2-amino-1,3-benzoxazol-5-yl)-6-(dimethylamino)-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(=O)[nH]c(N(C)C)nc21
InChIInChI=1S/C17H19N7O2/c1-8(2)24-14-12(15(25)21-17(20-14)23(3)4)13(22-24)9-5-6-11-10(7-9)19-16(18)26-11/h5-8H,1-4H3,(H2,18,19)(H,20,21,25)
InChIKeyQBANGRVBRXSUJZ-UHFFFAOYSA-N
MW353.39 g/mol
LogP2.16
Rot. Bonds3

About 3-(2-amino-1,3-benzoxazol-5-yl)-6-(dimethylamino)-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one

3-(2-amino-1,3-benzoxazol-5-yl)-6-(dimethylamino)-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 155522182) has the molecular formula C17H19N7O2 and a molecular weight of 353.39 g/mol. Its IUPAC name is 3-(2-amino-1,3-benzoxazol-5-yl)-6-(dimethylamino)-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-amino-1,3-benzoxazol-5-yl)-6-(dimethylamino)-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID155522182
Molecular FormulaC17H19N7O2
Molecular Weight353.39 g/mol
Exact Mass353.16
IUPAC Name3-(2-amino-1,3-benzoxazol-5-yl)-6-(dimethylamino)-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(=O)[nH]c(N(C)C)nc21
InChIInChI=1S/C17H19N7O2/c1-8(2)24-14-12(15(25)21-17(20-14)23(3)4)13(22-24)9-5-6-11-10(7-9)19-16(18)26-11/h5-8H,1-4H3,(H2,18,19)(H,20,21,25)
InChIKeyQBANGRVBRXSUJZ-UHFFFAOYSA-N
XLogP2.16
TPSA118.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,3-benzoxazol-5-yl)-6-(dimethylamino)-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 3-(2-amino-1,3-benzoxazol-5-yl)-6-(dimethylamino)-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 155522182) is 3-(2-amino-1,3-benzoxazol-5-yl)-6-(dimethylamino)-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2-amino-1,3-benzoxazol-5-yl)-6-(dimethylamino)-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 3-(2-amino-1,3-benzoxazol-5-yl)-6-(dimethylamino)-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(=O)[nH]c(N(C)C)nc21.
What is the InChIKey of 3-(2-amino-1,3-benzoxazol-5-yl)-6-(dimethylamino)-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is QBANGRVBRXSUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O2/c1-8(2)24-14-12(15(25)21-17(20-14)23(3)4)13(22-24)9-5-6-11-10(7-9)19-16(18)26-11/h5-8H,1-4H3,(H2,18,19)(H,20,21,25).
What are the key properties of 3-(2-amino-1,3-benzoxazol-5-yl)-6-(dimethylamino)-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
3-(2-amino-1,3-benzoxazol-5-yl)-6-(dimethylamino)-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 353.39 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1,3-benzoxazol-5-yl)-6-(dimethylamino)-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 155522182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).