N-(3-fluorophenyl)-6-methylsulfonyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

C15H16FN5O2S — CID 10861037

IUPACN-(3-fluorophenyl)-6-methylsulfonyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1ncc2c(Nc3cccc(F)c3)nc(S(C)(=O)=O)nc21
InChIInChI=1S/C15H16FN5O2S/c1-9(2)21-14-12(8-17-21)13(19-15(20-14)24(3,22)23)18-11-6-4-5-10(16)7-11/h4-9H,1-3H3,(H,18,19,20)
InChIKeyWLNMAHCMQNOQLX-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.69
Rot. Bonds4

About N-(3-fluorophenyl)-6-methylsulfonyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

N-(3-fluorophenyl)-6-methylsulfonyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 10861037) has the molecular formula C15H16FN5O2S and a molecular weight of 349.39 g/mol. Its IUPAC name is N-(3-fluorophenyl)-6-methylsulfonyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-6-methylsulfonyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID10861037
Molecular FormulaC15H16FN5O2S
Molecular Weight349.39 g/mol
Exact Mass349.10
IUPAC NameN-(3-fluorophenyl)-6-methylsulfonyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1ncc2c(Nc3cccc(F)c3)nc(S(C)(=O)=O)nc21
InChIInChI=1S/C15H16FN5O2S/c1-9(2)21-14-12(8-17-21)13(19-15(20-14)24(3,22)23)18-11-6-4-5-10(16)7-11/h4-9H,1-3H3,(H,18,19,20)
InChIKeyWLNMAHCMQNOQLX-UHFFFAOYSA-N
XLogP2.69
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-6-methylsulfonyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(3-fluorophenyl)-6-methylsulfonyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 10861037) is N-(3-fluorophenyl)-6-methylsulfonyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-fluorophenyl)-6-methylsulfonyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-fluorophenyl)-6-methylsulfonyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is CC(C)n1ncc2c(Nc3cccc(F)c3)nc(S(C)(=O)=O)nc21.
What is the InChIKey of N-(3-fluorophenyl)-6-methylsulfonyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is WLNMAHCMQNOQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O2S/c1-9(2)21-14-12(8-17-21)13(19-15(20-14)24(3,22)23)18-11-6-4-5-10(16)7-11/h4-9H,1-3H3,(H,18,19,20).
What are the key properties of N-(3-fluorophenyl)-6-methylsulfonyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
N-(3-fluorophenyl)-6-methylsulfonyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 349.39 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-6-methylsulfonyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 10861037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).