1,3-dimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride

C14H20ClN5O2S — CID 120721633

IUPAC1,3-dimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
SMILESCc1nn(C)c2ncc(S(=O)(=O)NCC3=CCNCC3)cc12.Cl
InChIInChI=1S/C14H19N5O2S.ClH/c1-10-13-7-12(9-16-14(13)19(2)18-10)22(20,21)17-8-11-3-5-15-6-4-11;/h3,7,9,15,17H,4-6,8H2,1-2H3;1H
InChIKeyCKIWDBNLIOZMFB-UHFFFAOYSA-N
MW357.87 g/mol
LogP0.90
Rot. Bonds4

About 1,3-dimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride

1,3-dimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride (PubChem CID 120721633) has the molecular formula C14H20ClN5O2S and a molecular weight of 357.87 g/mol. Its IUPAC name is 1,3-dimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride.

Molecular Properties

Compound Name1,3-dimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
PubChem CID120721633
Molecular FormulaC14H20ClN5O2S
Molecular Weight357.87 g/mol
Exact Mass357.10
IUPAC Name1,3-dimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
SMILESCc1nn(C)c2ncc(S(=O)(=O)NCC3=CCNCC3)cc12.Cl
InChIInChI=1S/C14H19N5O2S.ClH/c1-10-13-7-12(9-16-14(13)19(2)18-10)22(20,21)17-8-11-3-5-15-6-4-11;/h3,7,9,15,17H,4-6,8H2,1-2H3;1H
InChIKeyCKIWDBNLIOZMFB-UHFFFAOYSA-N
XLogP0.90
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.87
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride?
The IUPAC name of 1,3-dimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride (CID 120721633) is 1,3-dimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride.
What is the SMILES notation for 1,3-dimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride?
The canonical SMILES for 1,3-dimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride is Cc1nn(C)c2ncc(S(=O)(=O)NCC3=CCNCC3)cc12.Cl.
What is the InChIKey of 1,3-dimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride?
The InChIKey is CKIWDBNLIOZMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S.ClH/c1-10-13-7-12(9-16-14(13)19(2)18-10)22(20,21)17-8-11-3-5-15-6-4-11;/h3,7,9,15,17H,4-6,8H2,1-2H3;1H.
What are the key properties of 1,3-dimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride?
1,3-dimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride has a molecular weight of 357.87 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride is sourced from PubChem (CID 120721633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).