N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

C16H21N5O2S — CID 96549725

IUPACN-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCc1cc(C)n(C[C@@H](C)CNS(=O)(=O)c2c[nH]c3ncccc23)n1
InChIInChI=1S/C16H21N5O2S/c1-11(10-21-13(3)7-12(2)20-21)8-19-24(22,23)15-9-18-16-14(15)5-4-6-17-16/h4-7,9,11,19H,8,10H2,1-3H3,(H,17,18)/t11-/m0/s1
InChIKeyQCFLRRMXYFXYOA-NSHDSACASA-N
MW347.44 g/mol
LogP1.99
Rot. Bonds6

About N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (PubChem CID 96549725) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
PubChem CID96549725
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC NameN-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCc1cc(C)n(C[C@@H](C)CNS(=O)(=O)c2c[nH]c3ncccc23)n1
InChIInChI=1S/C16H21N5O2S/c1-11(10-21-13(3)7-12(2)20-21)8-19-24(22,23)15-9-18-16-14(15)5-4-6-17-16/h4-7,9,11,19H,8,10H2,1-3H3,(H,17,18)/t11-/m0/s1
InChIKeyQCFLRRMXYFXYOA-NSHDSACASA-N
XLogP1.99
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The IUPAC name of N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (CID 96549725) is N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.
What is the SMILES notation for N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The canonical SMILES for N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is Cc1cc(C)n(C[C@@H](C)CNS(=O)(=O)c2c[nH]c3ncccc23)n1.
What is the InChIKey of N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The InChIKey is QCFLRRMXYFXYOA-NSHDSACASA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-11(10-21-13(3)7-12(2)20-21)8-19-24(22,23)15-9-18-16-14(15)5-4-6-17-16/h4-7,9,11,19H,8,10H2,1-3H3,(H,17,18)/t11-/m0/s1.
What are the key properties of N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide has a molecular weight of 347.44 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is sourced from PubChem (CID 96549725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).