N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C17H16FN7 — CID 26020095

IUPACN-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ccnc1[C@H](Nc1ncnc2c1cnn2C)c1ccc(F)cc1
InChIInChI=1S/C17H16FN7/c1-24-8-7-19-17(24)14(11-3-5-12(18)6-4-11)23-15-13-9-22-25(2)16(13)21-10-20-15/h3-10,14H,1-2H3,(H,20,21,23)/t14-/m1/s1
InChIKeyAZBJDEMVCKMJKE-CQSZACIVSA-N
MW337.36 g/mol
LogP2.44
Rot. Bonds4

About N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 26020095) has the molecular formula C17H16FN7 and a molecular weight of 337.36 g/mol. Its IUPAC name is N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID26020095
Molecular FormulaC17H16FN7
Molecular Weight337.36 g/mol
Exact Mass337.15
IUPAC NameN-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ccnc1[C@H](Nc1ncnc2c1cnn2C)c1ccc(F)cc1
InChIInChI=1S/C17H16FN7/c1-24-8-7-19-17(24)14(11-3-5-12(18)6-4-11)23-15-13-9-22-25(2)16(13)21-10-20-15/h3-10,14H,1-2H3,(H,20,21,23)/t14-/m1/s1
InChIKeyAZBJDEMVCKMJKE-CQSZACIVSA-N
XLogP2.44
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylpyrazolo[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

N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 25344777
1-(4-fluorophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 17396876
[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]hydrazine
CID 105192712
N-[(1-methylimidazol-2-yl)-phenylmethyl]quinazolin-4-amine
CID 24541708
5-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]thieno[2,3-d]pyrimidin-4-amine
CID 24541698
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 25358367
N-benzhydryl-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 27557651
1-methyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 43088482
(2R)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanoic acid
CID 93056813
4-fluoro-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 25350052
N-[1-benzofuran-2-yl(phenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 42889550
1-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 22590091

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 26020095) is N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is Cn1ccnc1[C@H](Nc1ncnc2c1cnn2C)c1ccc(F)cc1.
What is the InChIKey of N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is AZBJDEMVCKMJKE-CQSZACIVSA-N. The full InChI is InChI=1S/C17H16FN7/c1-24-8-7-19-17(24)14(11-3-5-12(18)6-4-11)23-15-13-9-22-25(2)16(13)21-10-20-15/h3-10,14H,1-2H3,(H,20,21,23)/t14-/m1/s1.
What are the key properties of N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 337.36 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 26020095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).