N-[cyclobutyl-(4-fluorophenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C16H16FN5 — CID 133286362

IUPACN-[cyclobutyl-(4-fluorophenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESFc1ccc(C(Nc2ncnc3[nH]ncc23)C2CCC2)cc1
InChIInChI=1S/C16H16FN5/c17-12-6-4-11(5-7-12)14(10-2-1-3-10)21-15-13-8-20-22-16(13)19-9-18-15/h4-10,14H,1-3H2,(H2,18,19,20,21,22)
InChIKeyBNPISPYEEKKMLO-UHFFFAOYSA-N
MW297.34 g/mol
LogP3.45
Rot. Bonds4

About N-[cyclobutyl-(4-fluorophenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[cyclobutyl-(4-fluorophenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 133286362) has the molecular formula C16H16FN5 and a molecular weight of 297.34 g/mol. Its IUPAC name is N-[cyclobutyl-(4-fluorophenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[cyclobutyl-(4-fluorophenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID133286362
Molecular FormulaC16H16FN5
Molecular Weight297.34 g/mol
Exact Mass297.14
IUPAC NameN-[cyclobutyl-(4-fluorophenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESFc1ccc(C(Nc2ncnc3[nH]ncc23)C2CCC2)cc1
InChIInChI=1S/C16H16FN5/c17-12-6-4-11(5-7-12)14(10-2-1-3-10)21-15-13-8-20-22-16(13)19-9-18-15/h4-10,14H,1-3H2,(H2,18,19,20,21,22)
InChIKeyBNPISPYEEKKMLO-UHFFFAOYSA-N
XLogP3.45
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Unc569
CID 53355503
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066096
N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554
Benzyl-(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amine
CID 219778
CID 138105936
CID 138105936
6-chloro-1-methyl-N-(2-phenylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 227530
5-phenyl-1H-pyrazolo[3,4-b]pyridin-3-amine
CID 6539528
N-[5-(2-fluorophenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]butanamide
CID 6539542
N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline
CID 10040667
3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 14638904
3-(6-{[(1s)-1-(4-Fluorophenyl)ethyl]amino}pyrimidin-4-Yl)pyrazolo[1,5-A]pyrimidin-2-Amine
CID 44159834
3-[1-(2,5-Difluorobenzyl)-1h-Pyrazol-4-Yl]-5-(1-Methyl-1h-Pyrazol-4-Yl)-1h-Pyrrolo[2,3-B]pyridine
CID 71604335

Frequently Asked Questions

What is the IUPAC name of N-[cyclobutyl-(4-fluorophenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[cyclobutyl-(4-fluorophenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 133286362) is N-[cyclobutyl-(4-fluorophenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[cyclobutyl-(4-fluorophenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[cyclobutyl-(4-fluorophenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is Fc1ccc(C(Nc2ncnc3[nH]ncc23)C2CCC2)cc1.
What is the InChIKey of N-[cyclobutyl-(4-fluorophenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is BNPISPYEEKKMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5/c17-12-6-4-11(5-7-12)14(10-2-1-3-10)21-15-13-8-20-22-16(13)19-9-18-15/h4-10,14H,1-3H2,(H2,18,19,20,21,22).
What are the key properties of N-[cyclobutyl-(4-fluorophenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[cyclobutyl-(4-fluorophenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 297.34 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclobutyl-(4-fluorophenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 133286362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).