3-(3-methylsulfonylphenyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine

C18H19N3O4S — CID 66828981

IUPAC3-(3-methylsulfonylphenyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
SMILESCS(=O)(=O)c1cccc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)c1
InChIInChI=1S/C18H19N3O4S/c1-26(22,23)14-4-2-3-12(11-14)17-16-15(20-21-17)5-8-19-18(16)25-13-6-9-24-10-7-13/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,20,21)
InChIKeyPEWPXHGTLLCHSU-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.59
Rot. Bonds4

About 3-(3-methylsulfonylphenyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine

3-(3-methylsulfonylphenyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine (PubChem CID 66828981) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 3-(3-methylsulfonylphenyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(3-methylsulfonylphenyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
PubChem CID66828981
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name3-(3-methylsulfonylphenyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
SMILESCS(=O)(=O)c1cccc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)c1
InChIInChI=1S/C18H19N3O4S/c1-26(22,23)14-4-2-3-12(11-14)17-16-15(20-21-17)5-8-19-18(16)25-13-6-9-24-10-7-13/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,20,21)
InChIKeyPEWPXHGTLLCHSU-UHFFFAOYSA-N
XLogP2.59
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-cyclohexyloxy-3-methyl-2H-pyrazolo[4,3-c]pyridine
CID 46898099
3-methyl-4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridine
CID 59618824
3-[1-(2-methylpropyl)pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
CID 66829086
4-(oxan-4-yloxy)-3-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridine
CID 68069685
5-[(3-methylsulfonylphenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine
CID 130360897
US9718825, Example 589
CID 136213482
N-[2-[[[3-(6-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide
CID 155530525
4-cyclohexyloxy-3-cyclopropyl-2H-pyrazolo[4,3-c]pyridine
CID 56941056
3-(2,6-dimethyl-4-pyridinyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
CID 56942364
3-(2-methoxy-4-pyridinyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
CID 56942365
3-(1-methylindazol-5-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
CID 66825285
4-methoxy-3-(3-methylsulfonylphenyl)-1H-pyrazolo[4,3-c]pyridine
CID 66825522

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylsulfonylphenyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(3-methylsulfonylphenyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine (CID 66828981) is 3-(3-methylsulfonylphenyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(3-methylsulfonylphenyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(3-methylsulfonylphenyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine is CS(=O)(=O)c1cccc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)c1.
What is the InChIKey of 3-(3-methylsulfonylphenyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is PEWPXHGTLLCHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-26(22,23)14-4-2-3-12(11-14)17-16-15(20-21-17)5-8-19-18(16)25-13-6-9-24-10-7-13/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,20,21).
What are the key properties of 3-(3-methylsulfonylphenyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine?
3-(3-methylsulfonylphenyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 373.43 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylsulfonylphenyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 66828981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).