3-(5-cyclopropyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

C19H19N7O — CID 139331391

IUPAC3-(5-cyclopropyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(-c2noc(C3CC3)c2-c2ccccn2)c2c(N)ncnc21
InChIInChI=1S/C19H19N7O/c1-10(2)26-19-14(18(20)22-9-23-19)15(24-26)16-13(12-5-3-4-8-21-12)17(27-25-16)11-6-7-11/h3-5,8-11H,6-7H2,1-2H3,(H2,20,22,23)
InChIKeyIOWNHWRBCSMFNP-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.58
Rot. Bonds4

About 3-(5-cyclopropyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

3-(5-cyclopropyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 139331391) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is 3-(5-cyclopropyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(5-cyclopropyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID139331391
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name3-(5-cyclopropyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(-c2noc(C3CC3)c2-c2ccccn2)c2c(N)ncnc21
InChIInChI=1S/C19H19N7O/c1-10(2)26-19-14(18(20)22-9-23-19)15(24-26)16-13(12-5-3-4-8-21-12)17(27-25-16)11-6-7-11/h3-5,8-11H,6-7H2,1-2H3,(H2,20,22,23)
InChIKeyIOWNHWRBCSMFNP-UHFFFAOYSA-N
XLogP3.58
TPSA108.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(5-cyclopropyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 139331391) is 3-(5-cyclopropyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(5-cyclopropyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(5-cyclopropyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is CC(C)n1nc(-c2noc(C3CC3)c2-c2ccccn2)c2c(N)ncnc21.
What is the InChIKey of 3-(5-cyclopropyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is IOWNHWRBCSMFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O/c1-10(2)26-19-14(18(20)22-9-23-19)15(24-26)16-13(12-5-3-4-8-21-12)17(27-25-16)11-6-7-11/h3-5,8-11H,6-7H2,1-2H3,(H2,20,22,23).
What are the key properties of 3-(5-cyclopropyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
3-(5-cyclopropyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 361.41 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 139331391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).