3-(2-fluoro-4-phenoxyphenyl)-1-propylpyrazolo[3,4-d]pyrimidin-4-amine

C20H18FN5O — CID 141348836

IUPAC3-(2-fluoro-4-phenoxyphenyl)-1-propylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc21
InChIInChI=1S/C20H18FN5O/c1-2-10-26-20-17(19(22)23-12-24-20)18(25-26)15-9-8-14(11-16(15)21)27-13-6-4-3-5-7-13/h3-9,11-12H,2,10H2,1H3,(H2,22,23,24)
InChIKeyMSELWBRZFFSEPD-UHFFFAOYSA-N
MW363.40 g/mol
LogP4.42
Rot. Bonds5

About 3-(2-fluoro-4-phenoxyphenyl)-1-propylpyrazolo[3,4-d]pyrimidin-4-amine

3-(2-fluoro-4-phenoxyphenyl)-1-propylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 141348836) has the molecular formula C20H18FN5O and a molecular weight of 363.40 g/mol. Its IUPAC name is 3-(2-fluoro-4-phenoxyphenyl)-1-propylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(2-fluoro-4-phenoxyphenyl)-1-propylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID141348836
Molecular FormulaC20H18FN5O
Molecular Weight363.40 g/mol
Exact Mass363.15
IUPAC Name3-(2-fluoro-4-phenoxyphenyl)-1-propylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc21
InChIInChI=1S/C20H18FN5O/c1-2-10-26-20-17(19(22)23-12-24-20)18(25-26)15-9-8-14(11-16(15)21)27-13-6-4-3-5-7-13/h3-9,11-12H,2,10H2,1H3,(H2,22,23,24)
InChIKeyMSELWBRZFFSEPD-UHFFFAOYSA-N
XLogP4.42
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2S)-2-aminopropyl]-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 90002567
3-(2-fluoro-4-phenoxyphenyl)-1-(1H-pyrrol-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 141387622
1-butyl-3-[2-fluoro-4-(2,3,5,6-tetrafluorophenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 121475589
(Z)-N-[2-[4-amino-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-cyano-3-cyclopropylprop-2-enamide
CID 90002840
N-[2-[4-amino-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1-cyano-2-cyclopropylethenesulfonamide
CID 123700153
N-[(2R)-1-[4-amino-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]propan-2-yl]-2-cyano-4,4-dimethylpent-2-enamide
CID 140681184
3-[(2R)-2-[[4-amino-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]pyrrolidin-1-yl]-3-oxopropanenitrile
CID 71015721
2-[(2R)-2-aminopropyl]-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 71014081
(E)-N-[(2R)-1-[4-amino-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]propan-2-yl]-2-cyano-4-ethoxy-4-methylpent-2-enamide
CID 71015222
(E)-2-[(2R)-2-[[4-amino-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]pyrrolidine-1-carbonyl]-4-methylpent-2-enenitrile
CID 72714799
(E)-2-[(2S)-2-[[4-amino-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]pyrrolidine-1-carbonyl]-4-methylpent-2-enenitrile
CID 89189372
(E)-2-[(2S)-2-[[4-amino-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]pyrrolidine-1-carbonyl]-4-(dimethylamino)-4-methylpent-2-enenitrile
CID 72714896

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-phenoxyphenyl)-1-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(2-fluoro-4-phenoxyphenyl)-1-propylpyrazolo[3,4-d]pyrimidin-4-amine (CID 141348836) is 3-(2-fluoro-4-phenoxyphenyl)-1-propylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(2-fluoro-4-phenoxyphenyl)-1-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(2-fluoro-4-phenoxyphenyl)-1-propylpyrazolo[3,4-d]pyrimidin-4-amine is CCCn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc21.
What is the InChIKey of 3-(2-fluoro-4-phenoxyphenyl)-1-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is MSELWBRZFFSEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O/c1-2-10-26-20-17(19(22)23-12-24-20)18(25-26)15-9-8-14(11-16(15)21)27-13-6-4-3-5-7-13/h3-9,11-12H,2,10H2,1H3,(H2,22,23,24).
What are the key properties of 3-(2-fluoro-4-phenoxyphenyl)-1-propylpyrazolo[3,4-d]pyrimidin-4-amine?
3-(2-fluoro-4-phenoxyphenyl)-1-propylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 363.40 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-phenoxyphenyl)-1-propylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 141348836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).