1-[(2-fluorophenyl)methyl]-4-(1-methylimidazol-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine

C16H14FN7 — CID 22015539

IUPAC1-[(2-fluorophenyl)methyl]-4-(1-methylimidazol-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCn1ccnc1-c1nc(N)nc2c1cnn2Cc1ccccc1F
InChIInChI=1S/C16H14FN7/c1-23-7-6-19-15(23)13-11-8-20-24(14(11)22-16(18)21-13)9-10-4-2-3-5-12(10)17/h2-8H,9H2,1H3,(H2,18,21,22)
InChIKeyKYXOBFWXGDFNOK-UHFFFAOYSA-N
MW323.34 g/mol
LogP2.00
Rot. Bonds3

About 1-[(2-fluorophenyl)methyl]-4-(1-methylimidazol-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine

1-[(2-fluorophenyl)methyl]-4-(1-methylimidazol-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 22015539) has the molecular formula C16H14FN7 and a molecular weight of 323.34 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-4-(1-methylimidazol-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-4-(1-methylimidazol-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID22015539
Molecular FormulaC16H14FN7
Molecular Weight323.34 g/mol
Exact Mass323.13
IUPAC Name1-[(2-fluorophenyl)methyl]-4-(1-methylimidazol-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCn1ccnc1-c1nc(N)nc2c1cnn2Cc1ccccc1F
InChIInChI=1S/C16H14FN7/c1-23-7-6-19-15(23)13-11-8-20-24(14(11)22-16(18)21-13)9-10-4-2-3-5-12(10)17/h2-8H,9H2,1H3,(H2,18,21,22)
InChIKeyKYXOBFWXGDFNOK-UHFFFAOYSA-N
XLogP2.00
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[(2-fluorophenyl)methyl]-4-(1-methylimidazol-2-yl)pyrazolo[3,4-d]pyrimidin-6-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 1-[(2-fluorophenyl)methyl]-4-(1-methylimidazol-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-4-(1-methylimidazol-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine (CID 22015539) is 1-[(2-fluorophenyl)methyl]-4-(1-methylimidazol-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-4-(1-methylimidazol-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-4-(1-methylimidazol-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine is Cn1ccnc1-c1nc(N)nc2c1cnn2Cc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-4-(1-methylimidazol-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is KYXOBFWXGDFNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN7/c1-23-7-6-19-15(23)13-11-8-20-24(14(11)22-16(18)21-13)9-10-4-2-3-5-12(10)17/h2-8H,9H2,1H3,(H2,18,21,22).
What are the key properties of 1-[(2-fluorophenyl)methyl]-4-(1-methylimidazol-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine?
1-[(2-fluorophenyl)methyl]-4-(1-methylimidazol-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 323.34 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-4-(1-methylimidazol-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 22015539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).