1-(4-fluorophenyl)-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine

C15H16FN5 — CID 7205324

IUPAC1-(4-fluorophenyl)-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)CNc1ncnc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C15H16FN5/c1-10(2)7-17-14-13-8-20-21(15(13)19-9-18-14)12-5-3-11(16)4-6-12/h3-6,8-10H,7H2,1-2H3,(H,17,18,19)
InChIKeyAGESBEQMWSBJCG-UHFFFAOYSA-N
MW285.33 g/mol
LogP3.02
Rot. Bonds4

About 1-(4-fluorophenyl)-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-(4-fluorophenyl)-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 7205324) has the molecular formula C15H16FN5 and a molecular weight of 285.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID7205324
Molecular FormulaC15H16FN5
Molecular Weight285.33 g/mol
Exact Mass285.14
IUPAC Name1-(4-fluorophenyl)-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)CNc1ncnc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C15H16FN5/c1-10(2)7-17-14-13-8-20-21(15(13)19-9-18-14)12-5-3-11(16)4-6-12/h3-6,8-10H,7H2,1-2H3,(H,17,18,19)
InChIKeyAGESBEQMWSBJCG-UHFFFAOYSA-N
XLogP3.02
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 7205340
(2R)-1-[[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-2-ol
CID 7205599
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
1-(4-chlorophenyl)-N-(2,2-dimethoxyethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 4100004
2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(2-methylpropyl)propanamide
CID 24601298
N-benzhydryl-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 27557651
N-ethyl-1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63022609
1-(4-bromophenyl)-N-ethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63022262
propan-2-yl 2-methyl-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanoate
CID 133325485
N-(2,2-dimethylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 61168228
1-(4-fluorophenyl)-4-methylsulfanylpyrazolo[5,4-d]pyrimidine
CID 17456265

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 7205324) is 1-(4-fluorophenyl)-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine is CC(C)CNc1ncnc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is AGESBEQMWSBJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5/c1-10(2)7-17-14-13-8-20-21(15(13)19-9-18-14)12-5-3-11(16)4-6-12/h3-6,8-10H,7H2,1-2H3,(H,17,18,19).
What are the key properties of 1-(4-fluorophenyl)-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-(4-fluorophenyl)-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 285.33 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 7205324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).