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

C18H23N5O2S — CID 120895644

IUPACN-(2-aminoethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide
SMILESCc1nn(C)c2ncc(S(=O)(=O)N(CCN)CCc3ccccc3)cc12
InChIInChI=1S/C18H23N5O2S/c1-14-17-12-16(13-20-18(17)22(2)21-14)26(24,25)23(11-9-19)10-8-15-6-4-3-5-7-15/h3-7,12-13H,8-11,19H2,1-2H3
InChIKeyQSKPOYHURLHGFL-UHFFFAOYSA-N
MW373.48 g/mol
LogP1.47
Rot. Bonds7

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

N-(2-aminoethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide (PubChem CID 120895644) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-(2-aminoethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide
PubChem CID120895644
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC NameN-(2-aminoethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide
SMILESCc1nn(C)c2ncc(S(=O)(=O)N(CCN)CCc3ccccc3)cc12
InChIInChI=1S/C18H23N5O2S/c1-14-17-12-16(13-20-18(17)22(2)21-14)26(24,25)23(11-9-19)10-8-15-6-4-3-5-7-15/h3-7,12-13H,8-11,19H2,1-2H3
InChIKeyQSKPOYHURLHGFL-UHFFFAOYSA-N
XLogP1.47
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide (CID 120895644) is N-(2-aminoethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide is Cc1nn(C)c2ncc(S(=O)(=O)N(CCN)CCc3ccccc3)cc12.
What is the InChIKey of N-(2-aminoethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide?
The InChIKey is QSKPOYHURLHGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-14-17-12-16(13-20-18(17)22(2)21-14)26(24,25)23(11-9-19)10-8-15-6-4-3-5-7-15/h3-7,12-13H,8-11,19H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide?
N-(2-aminoethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide has a molecular weight of 373.48 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide is sourced from PubChem (CID 120895644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).