3-(6-phenylmethoxynaphthalen-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

C25H23N5O — CID 53344910

IUPAC3-(6-phenylmethoxynaphthalen-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(-c2ccc3cc(OCc4ccccc4)ccc3c2)c2c(N)ncnc21
InChIInChI=1S/C25H23N5O/c1-16(2)30-25-22(24(26)27-15-28-25)23(29-30)20-9-8-19-13-21(11-10-18(19)12-20)31-14-17-6-4-3-5-7-17/h3-13,15-16H,14H2,1-2H3,(H2,26,27,28)
InChIKeyLPHRWFLVTLSQRC-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.39
Rot. Bonds5

About 3-(6-phenylmethoxynaphthalen-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

3-(6-phenylmethoxynaphthalen-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 53344910) has the molecular formula C25H23N5O and a molecular weight of 409.49 g/mol. Its IUPAC name is 3-(6-phenylmethoxynaphthalen-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(6-phenylmethoxynaphthalen-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID53344910
Molecular FormulaC25H23N5O
Molecular Weight409.49 g/mol
Exact Mass409.19
IUPAC Name3-(6-phenylmethoxynaphthalen-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(-c2ccc3cc(OCc4ccccc4)ccc3c2)c2c(N)ncnc21
InChIInChI=1S/C25H23N5O/c1-16(2)30-25-22(24(26)27-15-28-25)23(29-30)20-9-8-19-13-21(11-10-18(19)12-20)31-14-17-6-4-3-5-7-17/h3-13,15-16H,14H2,1-2H3,(H2,26,27,28)
InChIKeyLPHRWFLVTLSQRC-UHFFFAOYSA-N
XLogP5.39
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(6-phenylmethoxynaphthalen-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(6-phenylmethoxynaphthalen-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(6-phenylmethoxynaphthalen-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 53344910) is 3-(6-phenylmethoxynaphthalen-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(6-phenylmethoxynaphthalen-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(6-phenylmethoxynaphthalen-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is CC(C)n1nc(-c2ccc3cc(OCc4ccccc4)ccc3c2)c2c(N)ncnc21.
What is the InChIKey of 3-(6-phenylmethoxynaphthalen-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is LPHRWFLVTLSQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O/c1-16(2)30-25-22(24(26)27-15-28-25)23(29-30)20-9-8-19-13-21(11-10-18(19)12-20)31-14-17-6-4-3-5-7-17/h3-13,15-16H,14H2,1-2H3,(H2,26,27,28).
What are the key properties of 3-(6-phenylmethoxynaphthalen-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
3-(6-phenylmethoxynaphthalen-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 409.49 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-phenylmethoxynaphthalen-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 53344910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).