N-(2,3-difluorophenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine

C16H16F2N6 — CID 91755669

IUPACN-(2,3-difluorophenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESFc1cccc(Nc2ncnc3c2cnn3C2CCNCC2)c1F
InChIInChI=1S/C16H16F2N6/c17-12-2-1-3-13(14(12)18)23-15-11-8-22-24(16(11)21-9-20-15)10-4-6-19-7-5-10/h1-3,8-10,19H,4-7H2,(H,20,21,23)
InChIKeyHVHAIJJDCJKRSQ-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.77
Rot. Bonds3

About N-(2,3-difluorophenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine

N-(2,3-difluorophenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 91755669) has the molecular formula C16H16F2N6 and a molecular weight of 330.34 g/mol. Its IUPAC name is N-(2,3-difluorophenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,3-difluorophenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID91755669
Molecular FormulaC16H16F2N6
Molecular Weight330.34 g/mol
Exact Mass330.14
IUPAC NameN-(2,3-difluorophenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESFc1cccc(Nc2ncnc3c2cnn3C2CCNCC2)c1F
InChIInChI=1S/C16H16F2N6/c17-12-2-1-3-13(14(12)18)23-15-11-8-22-24(16(11)21-9-20-15)10-4-6-19-7-5-10/h1-3,8-10,19H,4-7H2,(H,20,21,23)
InChIKeyHVHAIJJDCJKRSQ-UHFFFAOYSA-N
XLogP2.77
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2,3-difluorophenyl)-1-piperidin-4-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

N-[(2,6-difluorophenyl)methyl]-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 91756043
N-(3-methylphenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 91756034
N-(3-iodophenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 91755831
N-[2,5-bis(trifluoromethyl)phenyl]-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 91756003
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 91755812
9-cyclopropyl-N-(2,3-difluorophenyl)purin-6-amine
CID 154829307
6-chloro-N-(2,3-difluorophenyl)pyrido[3,4-d]pyrimidin-4-amine
CID 166539805
1-cyclopropyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride
CID 141114356
N-(3-chloro-2-fluorophenyl)-6-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine
CID 166539548
(2S,6S)-2,6-dimethyl-4-(1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
CID 124679286
1-(4-chlorophenyl)-N-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 5092933
4-(3-methylpiperidin-1-yl)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidine
CID 91755584

Frequently Asked Questions

What is the IUPAC name of N-(2,3-difluorophenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(2,3-difluorophenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 91755669) is N-(2,3-difluorophenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2,3-difluorophenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(2,3-difluorophenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is Fc1cccc(Nc2ncnc3c2cnn3C2CCNCC2)c1F.
What is the InChIKey of N-(2,3-difluorophenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is HVHAIJJDCJKRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N6/c17-12-2-1-3-13(14(12)18)23-15-11-8-22-24(16(11)21-9-20-15)10-4-6-19-7-5-10/h1-3,8-10,19H,4-7H2,(H,20,21,23).
What are the key properties of N-(2,3-difluorophenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
N-(2,3-difluorophenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 330.34 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-difluorophenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 91755669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).