(7R)-7-(ethoxymethyl)-1-ethyl-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-sulfonamide

C13H24N4O3S — CID 97468480

IUPAC(7R)-7-(ethoxymethyl)-1-ethyl-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-sulfonamide
SMILESCCOC[C@@H]1CN(S(=O)(=O)N(C)C)Cc2cnn(CC)c21
InChIInChI=1S/C13H24N4O3S/c1-5-17-13-11(7-14-17)8-16(21(18,19)15(3)4)9-12(13)10-20-6-2/h7,12H,5-6,8-10H2,1-4H3/t12-/m0/s1
InChIKeyZLJBCLGLKRHFSS-LBPRGKRZSA-N
MW316.43 g/mol
LogP0.65
Rot. Bonds6

About (7R)-7-(ethoxymethyl)-1-ethyl-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-sulfonamide

(7R)-7-(ethoxymethyl)-1-ethyl-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-sulfonamide (PubChem CID 97468480) has the molecular formula C13H24N4O3S and a molecular weight of 316.43 g/mol. Its IUPAC name is (7R)-7-(ethoxymethyl)-1-ethyl-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-sulfonamide.

Molecular Properties

Compound Name(7R)-7-(ethoxymethyl)-1-ethyl-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-sulfonamide
PubChem CID97468480
Molecular FormulaC13H24N4O3S
Molecular Weight316.43 g/mol
Exact Mass316.16
IUPAC Name(7R)-7-(ethoxymethyl)-1-ethyl-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-sulfonamide
SMILESCCOC[C@@H]1CN(S(=O)(=O)N(C)C)Cc2cnn(CC)c21
InChIInChI=1S/C13H24N4O3S/c1-5-17-13-11(7-14-17)8-16(21(18,19)15(3)4)9-12(13)10-20-6-2/h7,12H,5-6,8-10H2,1-4H3/t12-/m0/s1
InChIKeyZLJBCLGLKRHFSS-LBPRGKRZSA-N
XLogP0.65
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-(ethoxymethyl)-1-ethyl-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-sulfonamide?
The IUPAC name of (7R)-7-(ethoxymethyl)-1-ethyl-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-sulfonamide (CID 97468480) is (7R)-7-(ethoxymethyl)-1-ethyl-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-sulfonamide.
What is the SMILES notation for (7R)-7-(ethoxymethyl)-1-ethyl-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-sulfonamide?
The canonical SMILES for (7R)-7-(ethoxymethyl)-1-ethyl-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-sulfonamide is CCOC[C@@H]1CN(S(=O)(=O)N(C)C)Cc2cnn(CC)c21.
What is the InChIKey of (7R)-7-(ethoxymethyl)-1-ethyl-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-sulfonamide?
The InChIKey is ZLJBCLGLKRHFSS-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H24N4O3S/c1-5-17-13-11(7-14-17)8-16(21(18,19)15(3)4)9-12(13)10-20-6-2/h7,12H,5-6,8-10H2,1-4H3/t12-/m0/s1.
What are the key properties of (7R)-7-(ethoxymethyl)-1-ethyl-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-sulfonamide?
(7R)-7-(ethoxymethyl)-1-ethyl-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-sulfonamide has a molecular weight of 316.43 g/mol, XLogP of 0.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(ethoxymethyl)-1-ethyl-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-sulfonamide is sourced from PubChem (CID 97468480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).