6-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)naphthalen-2-ol

C18H17N5O — CID 135947979

IUPAC6-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)naphthalen-2-ol
SMILESCC(C)n1nc(-c2ccc3cc(O)ccc3c2)c2c(N)ncnc21
InChIInChI=1S/C18H17N5O/c1-10(2)23-18-15(17(19)20-9-21-18)16(22-23)13-4-3-12-8-14(24)6-5-11(12)7-13/h3-10,24H,1-2H3,(H2,19,20,21)
InChIKeyJCMWWPAJCOQLAF-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.52
Rot. Bonds2

About 6-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)naphthalen-2-ol

6-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)naphthalen-2-ol (PubChem CID 135947979) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 6-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)naphthalen-2-ol.

Molecular Properties

Compound Name6-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)naphthalen-2-ol
PubChem CID135947979
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name6-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)naphthalen-2-ol
SMILESCC(C)n1nc(-c2ccc3cc(O)ccc3c2)c2c(N)ncnc21
InChIInChI=1S/C18H17N5O/c1-10(2)23-18-15(17(19)20-9-21-18)16(22-23)13-4-3-12-8-14(24)6-5-11(12)7-13/h3-10,24H,1-2H3,(H2,19,20,21)
InChIKeyJCMWWPAJCOQLAF-UHFFFAOYSA-N
XLogP3.52
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)naphthalen-2-ol?
The IUPAC name of 6-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)naphthalen-2-ol (CID 135947979) is 6-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)naphthalen-2-ol.
What is the SMILES notation for 6-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)naphthalen-2-ol?
The canonical SMILES for 6-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)naphthalen-2-ol is CC(C)n1nc(-c2ccc3cc(O)ccc3c2)c2c(N)ncnc21.
What is the InChIKey of 6-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)naphthalen-2-ol?
The InChIKey is JCMWWPAJCOQLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-10(2)23-18-15(17(19)20-9-21-18)16(22-23)13-4-3-12-8-14(24)6-5-11(12)7-13/h3-10,24H,1-2H3,(H2,19,20,21).
What are the key properties of 6-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)naphthalen-2-ol?
6-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)naphthalen-2-ol has a molecular weight of 319.37 g/mol, XLogP of 3.52, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)naphthalen-2-ol is sourced from PubChem (CID 135947979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).