N-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanesulfonamide

C15H18N6O2S — CID 24905161

IUPACN-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanesulfonamide
SMILESCC(C)n1nc(-c2ccc(NS(C)(=O)=O)cc2)c2c(N)ncnc21
InChIInChI=1S/C15H18N6O2S/c1-9(2)21-15-12(14(16)17-8-18-15)13(19-21)10-4-6-11(7-5-10)20-24(3,22)23/h4-9,20H,1-3H3,(H2,16,17,18)
InChIKeyHMKCVXALDWCZFL-UHFFFAOYSA-N
MW346.42 g/mol
LogP2.03
Rot. Bonds4

About N-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanesulfonamide

N-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanesulfonamide (PubChem CID 24905161) has the molecular formula C15H18N6O2S and a molecular weight of 346.42 g/mol. Its IUPAC name is N-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanesulfonamide
PubChem CID24905161
Molecular FormulaC15H18N6O2S
Molecular Weight346.42 g/mol
Exact Mass346.12
IUPAC NameN-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanesulfonamide
SMILESCC(C)n1nc(-c2ccc(NS(C)(=O)=O)cc2)c2c(N)ncnc21
InChIInChI=1S/C15H18N6O2S/c1-9(2)21-15-12(14(16)17-8-18-15)13(19-21)10-4-6-11(7-5-10)20-24(3,22)23/h4-9,20H,1-3H3,(H2,16,17,18)
InChIKeyHMKCVXALDWCZFL-UHFFFAOYSA-N
XLogP2.03
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanesulfonamide (CID 24905161) is N-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanesulfonamide is CC(C)n1nc(-c2ccc(NS(C)(=O)=O)cc2)c2c(N)ncnc21.
What is the InChIKey of N-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanesulfonamide?
The InChIKey is HMKCVXALDWCZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2S/c1-9(2)21-15-12(14(16)17-8-18-15)13(19-21)10-4-6-11(7-5-10)20-24(3,22)23/h4-9,20H,1-3H3,(H2,16,17,18).
What are the key properties of N-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanesulfonamide?
N-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanesulfonamide has a molecular weight of 346.42 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 24905161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).