N-[(2,6-difluorophenyl)methyl]-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine

C17H18F2N6 — CID 91756043

IUPACN-[(2,6-difluorophenyl)methyl]-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESFc1cccc(F)c1CNc1ncnc2c1cnn2C1CCNCC1
InChIInChI=1S/C17H18F2N6/c18-14-2-1-3-15(19)12(14)8-21-16-13-9-24-25(17(13)23-10-22-16)11-4-6-20-7-5-11/h1-3,9-11,20H,4-8H2,(H,21,22,23)
InChIKeyBPOGPENDDVFPJZ-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.64
Rot. Bonds4

About N-[(2,6-difluorophenyl)methyl]-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine

N-[(2,6-difluorophenyl)methyl]-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 91756043) has the molecular formula C17H18F2N6 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID91756043
Molecular FormulaC17H18F2N6
Molecular Weight344.37 g/mol
Exact Mass344.16
IUPAC NameN-[(2,6-difluorophenyl)methyl]-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESFc1cccc(F)c1CNc1ncnc2c1cnn2C1CCNCC1
InChIInChI=1S/C17H18F2N6/c18-14-2-1-3-15(19)12(14)8-21-16-13-9-24-25(17(13)23-10-22-16)11-4-6-20-7-5-11/h1-3,9-11,20H,4-8H2,(H,21,22,23)
InChIKeyBPOGPENDDVFPJZ-UHFFFAOYSA-N
XLogP2.64
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-difluorophenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 91755669
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-chloro-5-(trifluoromethyl)phenyl]-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 91755812
N-[2,5-bis(trifluoromethyl)phenyl]-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 91756003
(2R,3R,4S,5R)-2-[4-[(2-fluorophenyl)methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 22295151
1-cyclopropyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride
CID 141114356
(2S,6S)-2,6-dimethyl-4-(1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
CID 124679286
4-(3-methylpiperidin-1-yl)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidine
CID 91755584
1-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 5213859
1-(4-fluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 86809015
2-[4-(ethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol
CID 63022258

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 91756043) is N-[(2,6-difluorophenyl)methyl]-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is Fc1cccc(F)c1CNc1ncnc2c1cnn2C1CCNCC1.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is BPOGPENDDVFPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N6/c18-14-2-1-3-15(19)12(14)8-21-16-13-9-24-25(17(13)23-10-22-16)11-4-6-20-7-5-11/h1-3,9-11,20H,4-8H2,(H,21,22,23).
What are the key properties of N-[(2,6-difluorophenyl)methyl]-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
N-[(2,6-difluorophenyl)methyl]-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 344.37 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 91756043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).