3-(7-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

C17H18N6O — CID 135911760

IUPAC3-(7-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cccc2cc(-c3nn(C(C)C)c4ncnc(N)c34)[nH]c12
InChIInChI=1S/C17H18N6O/c1-9(2)23-17-13(16(18)19-8-20-17)15(22-23)11-7-10-5-4-6-12(24-3)14(10)21-11/h4-9,21H,1-3H3,(H2,18,19,20)
InChIKeyRWHCVULRSUPDRD-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.15
Rot. Bonds3

About 3-(7-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

3-(7-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 135911760) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-(7-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(7-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID135911760
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name3-(7-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cccc2cc(-c3nn(C(C)C)c4ncnc(N)c34)[nH]c12
InChIInChI=1S/C17H18N6O/c1-9(2)23-17-13(16(18)19-8-20-17)15(22-23)11-7-10-5-4-6-12(24-3)14(10)21-11/h4-9,21H,1-3H3,(H2,18,19,20)
InChIKeyRWHCVULRSUPDRD-UHFFFAOYSA-N
XLogP3.15
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(7-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 135911760) is 3-(7-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(7-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(7-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is COc1cccc2cc(-c3nn(C(C)C)c4ncnc(N)c34)[nH]c12.
What is the InChIKey of 3-(7-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is RWHCVULRSUPDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-9(2)23-17-13(16(18)19-8-20-17)15(22-23)11-7-10-5-4-6-12(24-3)14(10)21-11/h4-9,21H,1-3H3,(H2,18,19,20).
What are the key properties of 3-(7-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
3-(7-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 322.37 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 135911760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).