1-(2-methylpropyl)-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

C19H19N5 — CID 24905276

IUPAC1-(2-methylpropyl)-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)Cn1nc(-c2ccc3ccccc3c2)c2c(N)ncnc21
InChIInChI=1S/C19H19N5/c1-12(2)10-24-19-16(18(20)21-11-22-19)17(23-24)15-8-7-13-5-3-4-6-14(13)9-15/h3-9,11-12H,10H2,1-2H3,(H2,20,21,22)
InChIKeyBDDWKXFDXDUVBK-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.88
Rot. Bonds3

About 1-(2-methylpropyl)-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

1-(2-methylpropyl)-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 24905276) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID24905276
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC Name1-(2-methylpropyl)-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)Cn1nc(-c2ccc3ccccc3c2)c2c(N)ncnc21
InChIInChI=1S/C19H19N5/c1-12(2)10-24-19-16(18(20)21-11-22-19)17(23-24)15-8-7-13-5-3-4-6-14(13)9-15/h3-9,11-12H,10H2,1-2H3,(H2,20,21,22)
InChIKeyBDDWKXFDXDUVBK-UHFFFAOYSA-N
XLogP3.88
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-methylpropyl)-3-naphthalen-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

Related Compounds

1-(2-methylpropyl)-3-[2-(2,2,2-trifluoroethoxy)quinolin-6-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 86342145
1-propan-2-yl-3-quinolin-6-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 24905152
(2R)-3-[4-amino-3-(3,4-dimethoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-1-ol
CID 24905334
3-[6-(2-methylpropoxy)naphthalen-2-yl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
CID 70684592
3-(6-phenylmethoxynaphthalen-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-propan-2-yl-3-(6-prop-2-enoxynaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 122443103
3-[6-[(2-chlorophenyl)methoxy]naphthalen-2-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
CID 70697141
1-tert-butyl-3-(6-methylnaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 121242363
5-(4-amino-1-ethylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
CID 142467589
3-(6-pent-4-enylnaphthalen-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 122661612
3-(6-ethoxynaphthalen-2-yl)-1-(oxan-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 155548620
3-(4-chlorophenyl)-1-ethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 24866636
3-(2-ethoxyquinolin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 122442388

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(2-methylpropyl)-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 24905276) is 1-(2-methylpropyl)-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(2-methylpropyl)-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(2-methylpropyl)-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is CC(C)Cn1nc(-c2ccc3ccccc3c2)c2c(N)ncnc21.
What is the InChIKey of 1-(2-methylpropyl)-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is BDDWKXFDXDUVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5/c1-12(2)10-24-19-16(18(20)21-11-22-19)17(23-24)15-8-7-13-5-3-4-6-14(13)9-15/h3-9,11-12H,10H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-(2-methylpropyl)-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
1-(2-methylpropyl)-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 317.40 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 24905276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).