N-(2-aminoethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide

C10H15N5O2S — CID 119960338

IUPACN-(2-aminoethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide
SMILESCc1nn(C)c2ncc(S(=O)(=O)NCCN)cc12
InChIInChI=1S/C10H15N5O2S/c1-7-9-5-8(18(16,17)13-4-3-11)6-12-10(9)15(2)14-7/h5-6,13H,3-4,11H2,1-2H3
InChIKeyIUDQOWHDEYCBOS-UHFFFAOYSA-N
MW269.33 g/mol
LogP-0.49
Rot. Bonds4

About N-(2-aminoethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide

N-(2-aminoethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide (PubChem CID 119960338) has the molecular formula C10H15N5O2S and a molecular weight of 269.33 g/mol. Its IUPAC name is N-(2-aminoethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide
PubChem CID119960338
Molecular FormulaC10H15N5O2S
Molecular Weight269.33 g/mol
Exact Mass269.09
IUPAC NameN-(2-aminoethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide
SMILESCc1nn(C)c2ncc(S(=O)(=O)NCCN)cc12
InChIInChI=1S/C10H15N5O2S/c1-7-9-5-8(18(16,17)13-4-3-11)6-12-10(9)15(2)14-7/h5-6,13H,3-4,11H2,1-2H3
InChIKeyIUDQOWHDEYCBOS-UHFFFAOYSA-N
XLogP-0.49
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide (CID 119960338) is N-(2-aminoethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide is Cc1nn(C)c2ncc(S(=O)(=O)NCCN)cc12.
What is the InChIKey of N-(2-aminoethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide?
The InChIKey is IUDQOWHDEYCBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2S/c1-7-9-5-8(18(16,17)13-4-3-11)6-12-10(9)15(2)14-7/h5-6,13H,3-4,11H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide?
N-(2-aminoethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide has a molecular weight of 269.33 g/mol, XLogP of -0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide is sourced from PubChem (CID 119960338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).