7-(benzenesulfonyl)-4-pyrazol-1-yl-5H-pyrrolo[3,2-d]pyrimidin-6-amine

C15H12N6O2S — CID 118615196

IUPAC7-(benzenesulfonyl)-4-pyrazol-1-yl-5H-pyrrolo[3,2-d]pyrimidin-6-amine
SMILESNc1[nH]c2c(-n3cccn3)ncnc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H12N6O2S/c16-14-13(24(22,23)10-5-2-1-3-6-10)11-12(20-14)15(18-9-17-11)21-8-4-7-19-21/h1-9,20H,16H2
InChIKeyFIHVLROLRBBANA-UHFFFAOYSA-N
MW340.37 g/mol
LogP1.56
Rot. Bonds3

About 7-(benzenesulfonyl)-4-pyrazol-1-yl-5H-pyrrolo[3,2-d]pyrimidin-6-amine

7-(benzenesulfonyl)-4-pyrazol-1-yl-5H-pyrrolo[3,2-d]pyrimidin-6-amine (PubChem CID 118615196) has the molecular formula C15H12N6O2S and a molecular weight of 340.37 g/mol. Its IUPAC name is 7-(benzenesulfonyl)-4-pyrazol-1-yl-5H-pyrrolo[3,2-d]pyrimidin-6-amine.

Molecular Properties

Compound Name7-(benzenesulfonyl)-4-pyrazol-1-yl-5H-pyrrolo[3,2-d]pyrimidin-6-amine
PubChem CID118615196
Molecular FormulaC15H12N6O2S
Molecular Weight340.37 g/mol
Exact Mass340.07
IUPAC Name7-(benzenesulfonyl)-4-pyrazol-1-yl-5H-pyrrolo[3,2-d]pyrimidin-6-amine
SMILESNc1[nH]c2c(-n3cccn3)ncnc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H12N6O2S/c16-14-13(24(22,23)10-5-2-1-3-6-10)11-12(20-14)15(18-9-17-11)21-8-4-7-19-21/h1-9,20H,16H2
InChIKeyFIHVLROLRBBANA-UHFFFAOYSA-N
XLogP1.56
TPSA119.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(benzenesulfonyl)-4-pyrazol-1-yl-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The IUPAC name of 7-(benzenesulfonyl)-4-pyrazol-1-yl-5H-pyrrolo[3,2-d]pyrimidin-6-amine (CID 118615196) is 7-(benzenesulfonyl)-4-pyrazol-1-yl-5H-pyrrolo[3,2-d]pyrimidin-6-amine.
What is the SMILES notation for 7-(benzenesulfonyl)-4-pyrazol-1-yl-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The canonical SMILES for 7-(benzenesulfonyl)-4-pyrazol-1-yl-5H-pyrrolo[3,2-d]pyrimidin-6-amine is Nc1[nH]c2c(-n3cccn3)ncnc2c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 7-(benzenesulfonyl)-4-pyrazol-1-yl-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The InChIKey is FIHVLROLRBBANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O2S/c16-14-13(24(22,23)10-5-2-1-3-6-10)11-12(20-14)15(18-9-17-11)21-8-4-7-19-21/h1-9,20H,16H2.
What are the key properties of 7-(benzenesulfonyl)-4-pyrazol-1-yl-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
7-(benzenesulfonyl)-4-pyrazol-1-yl-5H-pyrrolo[3,2-d]pyrimidin-6-amine has a molecular weight of 340.37 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzenesulfonyl)-4-pyrazol-1-yl-5H-pyrrolo[3,2-d]pyrimidin-6-amine is sourced from PubChem (CID 118615196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).