1-benzyl-N-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine

C22H17N5 — CID 1069524

IUPAC1-benzyl-N-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESc1ccc(Cn2ncc3c(Nc4cccc5ccccc45)ncnc32)cc1
InChIInChI=1S/C22H17N5/c1-2-7-16(8-3-1)14-27-22-19(13-25-27)21(23-15-24-22)26-20-12-6-10-17-9-4-5-11-18(17)20/h1-13,15H,14H2,(H,23,24,26)
InChIKeyCWRYFQIFAJIDFI-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.77
Rot. Bonds4

About 1-benzyl-N-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine

1-benzyl-N-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 1069524) has the molecular formula C22H17N5 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-benzyl-N-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID1069524
Molecular FormulaC22H17N5
Molecular Weight351.41 g/mol
Exact Mass351.15
IUPAC Name1-benzyl-N-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESc1ccc(Cn2ncc3c(Nc4cccc5ccccc45)ncnc32)cc1
InChIInChI=1S/C22H17N5/c1-2-7-16(8-3-1)14-27-22-19(13-25-27)21(23-15-24-22)26-20-12-6-10-17-9-4-5-11-18(17)20/h1-13,15H,14H2,(H,23,24,26)
InChIKeyCWRYFQIFAJIDFI-UHFFFAOYSA-N
XLogP4.77
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-benzyl-N-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 1069524) is 1-benzyl-N-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-benzyl-N-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-benzyl-N-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine is c1ccc(Cn2ncc3c(Nc4cccc5ccccc45)ncnc32)cc1.
What is the InChIKey of 1-benzyl-N-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is CWRYFQIFAJIDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5/c1-2-7-16(8-3-1)14-27-22-19(13-25-27)21(23-15-24-22)26-20-12-6-10-17-9-4-5-11-18(17)20/h1-13,15H,14H2,(H,23,24,26).
What are the key properties of 1-benzyl-N-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine?
1-benzyl-N-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 351.41 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 1069524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).