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

C25H24ClN5O — CID 70684593

IUPAC3-(6-phenylmethoxynaphthalen-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
SMILESCC(C)n1nc(-c2ccc3cc(OCc4ccccc4)ccc3c2)c2c(N)ncnc21.Cl
InChIInChI=1S/C25H23N5O.ClH/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);1H
InChIKeyQNIGCTXCOKFBJN-UHFFFAOYSA-N
MW445.95 g/mol
LogP5.81
Rot. Bonds5

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

3-(6-phenylmethoxynaphthalen-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride (PubChem CID 70684593) has the molecular formula C25H24ClN5O and a molecular weight of 445.95 g/mol. Its IUPAC name is 3-(6-phenylmethoxynaphthalen-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name3-(6-phenylmethoxynaphthalen-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
PubChem CID70684593
Molecular FormulaC25H24ClN5O
Molecular Weight445.95 g/mol
Exact Mass445.17
IUPAC Name3-(6-phenylmethoxynaphthalen-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
SMILESCC(C)n1nc(-c2ccc3cc(OCc4ccccc4)ccc3c2)c2c(N)ncnc21.Cl
InChIInChI=1S/C25H23N5O.ClH/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);1H
InChIKeyQNIGCTXCOKFBJN-UHFFFAOYSA-N
XLogP5.81
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.95
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(6-phenylmethoxynaphthalen-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride 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;hydrochloride?
The IUPAC name of 3-(6-phenylmethoxynaphthalen-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride (CID 70684593) is 3-(6-phenylmethoxynaphthalen-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 3-(6-phenylmethoxynaphthalen-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 3-(6-phenylmethoxynaphthalen-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride is CC(C)n1nc(-c2ccc3cc(OCc4ccccc4)ccc3c2)c2c(N)ncnc21.Cl.
What is the InChIKey of 3-(6-phenylmethoxynaphthalen-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is QNIGCTXCOKFBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O.ClH/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);1H.
What are the key properties of 3-(6-phenylmethoxynaphthalen-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride?
3-(6-phenylmethoxynaphthalen-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 445.95 g/mol, XLogP of 5.81, 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;hydrochloride is sourced from PubChem (CID 70684593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).