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

C15H26N4O3S — CID 97368213

IUPAC(7R)-7-(cyclopropylmethoxymethyl)-1-ethyl-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-sulfonamide
SMILESCCn1ncc2c1[C@H](COCC1CC1)CN(S(=O)(=O)N(C)C)C2
InChIInChI=1S/C15H26N4O3S/c1-4-19-15-13(7-16-19)8-18(23(20,21)17(2)3)9-14(15)11-22-10-12-5-6-12/h7,12,14H,4-6,8-11H2,1-3H3/t14-/m0/s1
InChIKeyYILBJJMAHPFGDC-AWEZNQCLSA-N
MW342.47 g/mol
LogP1.04
Rot. Bonds7

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

(7R)-7-(cyclopropylmethoxymethyl)-1-ethyl-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-sulfonamide (PubChem CID 97368213) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is (7R)-7-(cyclopropylmethoxymethyl)-1-ethyl-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-sulfonamide.

Molecular Properties

Compound Name(7R)-7-(cyclopropylmethoxymethyl)-1-ethyl-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-sulfonamide
PubChem CID97368213
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC Name(7R)-7-(cyclopropylmethoxymethyl)-1-ethyl-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-sulfonamide
SMILESCCn1ncc2c1[C@H](COCC1CC1)CN(S(=O)(=O)N(C)C)C2
InChIInChI=1S/C15H26N4O3S/c1-4-19-15-13(7-16-19)8-18(23(20,21)17(2)3)9-14(15)11-22-10-12-5-6-12/h7,12,14H,4-6,8-11H2,1-3H3/t14-/m0/s1
InChIKeyYILBJJMAHPFGDC-AWEZNQCLSA-N
XLogP1.04
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-(cyclopropylmethoxymethyl)-1-ethyl-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-sulfonamide?
The IUPAC name of (7R)-7-(cyclopropylmethoxymethyl)-1-ethyl-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-sulfonamide (CID 97368213) is (7R)-7-(cyclopropylmethoxymethyl)-1-ethyl-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-sulfonamide.
What is the SMILES notation for (7R)-7-(cyclopropylmethoxymethyl)-1-ethyl-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-sulfonamide?
The canonical SMILES for (7R)-7-(cyclopropylmethoxymethyl)-1-ethyl-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-sulfonamide is CCn1ncc2c1[C@H](COCC1CC1)CN(S(=O)(=O)N(C)C)C2.
What is the InChIKey of (7R)-7-(cyclopropylmethoxymethyl)-1-ethyl-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-sulfonamide?
The InChIKey is YILBJJMAHPFGDC-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-4-19-15-13(7-16-19)8-18(23(20,21)17(2)3)9-14(15)11-22-10-12-5-6-12/h7,12,14H,4-6,8-11H2,1-3H3/t14-/m0/s1.
What are the key properties of (7R)-7-(cyclopropylmethoxymethyl)-1-ethyl-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-sulfonamide?
(7R)-7-(cyclopropylmethoxymethyl)-1-ethyl-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-sulfonamide has a molecular weight of 342.47 g/mol, XLogP of 1.04, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(cyclopropylmethoxymethyl)-1-ethyl-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-sulfonamide is sourced from PubChem (CID 97368213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).