N-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide

C20H18N4O3S — CID 16738729

IUPACN-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide
SMILESO=S(=O)(N[C@H](c1ccccc1)[C@@H](O)c1ccccc1)c1[nH]nc2ncccc12
InChIInChI=1S/C20H18N4O3S/c25-18(15-10-5-2-6-11-15)17(14-8-3-1-4-9-14)24-28(26,27)20-16-12-7-13-21-19(16)22-23-20/h1-13,17-18,24-25H,(H,21,22,23)/t17-,18+/m1/s1
InChIKeyBXPLHJUAHUABQP-MSOLQXFVSA-N
MW394.46 g/mol
LogP2.71
Rot. Bonds6

About N-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide

N-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide (PubChem CID 16738729) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is N-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide
PubChem CID16738729
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC NameN-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide
SMILESO=S(=O)(N[C@H](c1ccccc1)[C@@H](O)c1ccccc1)c1[nH]nc2ncccc12
InChIInChI=1S/C20H18N4O3S/c25-18(15-10-5-2-6-11-15)17(14-8-3-1-4-9-14)24-28(26,27)20-16-12-7-13-21-19(16)22-23-20/h1-13,17-18,24-25H,(H,21,22,23)/t17-,18+/m1/s1
InChIKeyBXPLHJUAHUABQP-MSOLQXFVSA-N
XLogP2.71
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide?
The IUPAC name of N-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide (CID 16738729) is N-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide.
What is the SMILES notation for N-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide?
The canonical SMILES for N-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide is O=S(=O)(N[C@H](c1ccccc1)[C@@H](O)c1ccccc1)c1[nH]nc2ncccc12.
What is the InChIKey of N-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide?
The InChIKey is BXPLHJUAHUABQP-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H18N4O3S/c25-18(15-10-5-2-6-11-15)17(14-8-3-1-4-9-14)24-28(26,27)20-16-12-7-13-21-19(16)22-23-20/h1-13,17-18,24-25H,(H,21,22,23)/t17-,18+/m1/s1.
What are the key properties of N-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide?
N-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide has a molecular weight of 394.46 g/mol, XLogP of 2.71, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide is sourced from PubChem (CID 16738729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).