N-[(2-methoxyphenyl)methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

C19H17N5O — CID 4119265

IUPACN-[(2-methoxyphenyl)methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccccc1CNc1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C19H17N5O/c1-25-17-10-6-5-7-14(17)11-20-18-16-12-23-24(19(16)22-13-21-18)15-8-3-2-4-9-15/h2-10,12-13H,11H2,1H3,(H,20,21,22)
InChIKeySWCQVRSQXNFTRK-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.44
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

N-[(2-methoxyphenyl)methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 4119265) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID4119265
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC NameN-[(2-methoxyphenyl)methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccccc1CNc1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C19H17N5O/c1-25-17-10-6-5-7-14(17)11-20-18-16-12-23-24(19(16)22-13-21-18)15-8-3-2-4-9-15/h2-10,12-13H,11H2,1H3,(H,20,21,22)
InChIKeySWCQVRSQXNFTRK-UHFFFAOYSA-N
XLogP3.44
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2-methoxyphenyl)methyl]-1-phenylpyrazolo[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 N-[(2-methoxyphenyl)methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (CID 4119265) is N-[(2-methoxyphenyl)methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is COc1ccccc1CNc1ncnc2c1cnn2-c1ccccc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is SWCQVRSQXNFTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-25-17-10-6-5-7-14(17)11-20-18-16-12-23-24(19(16)22-13-21-18)15-8-3-2-4-9-15/h2-10,12-13H,11H2,1H3,(H,20,21,22).
What are the key properties of N-[(2-methoxyphenyl)methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
N-[(2-methoxyphenyl)methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 331.38 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 4119265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).