3-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-N-methylbenzenesulfonamide

C23H27N5O4S — CID 151254243

IUPAC3-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(Nc2cc(Oc3cn(C4CC4)nc3C3CCOCC3)ccn2)c1
InChIInChI=1S/C23H27N5O4S/c1-24-33(29,30)20-4-2-3-17(13-20)26-22-14-19(7-10-25-22)32-21-15-28(18-5-6-18)27-23(21)16-8-11-31-12-9-16/h2-4,7,10,13-16,18,24H,5-6,8-9,11-12H2,1H3,(H,25,26)
InChIKeyNSZIJGFCWWBRDM-UHFFFAOYSA-N
MW469.57 g/mol
LogP3.95
Rot. Bonds8

About 3-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-N-methylbenzenesulfonamide

3-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-N-methylbenzenesulfonamide (PubChem CID 151254243) has the molecular formula C23H27N5O4S and a molecular weight of 469.57 g/mol. Its IUPAC name is 3-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-N-methylbenzenesulfonamide
PubChem CID151254243
Molecular FormulaC23H27N5O4S
Molecular Weight469.57 g/mol
Exact Mass469.18
IUPAC Name3-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(Nc2cc(Oc3cn(C4CC4)nc3C3CCOCC3)ccn2)c1
InChIInChI=1S/C23H27N5O4S/c1-24-33(29,30)20-4-2-3-17(13-20)26-22-14-19(7-10-25-22)32-21-15-28(18-5-6-18)27-23(21)16-8-11-31-12-9-16/h2-4,7,10,13-16,18,24H,5-6,8-9,11-12H2,1H3,(H,25,26)
InChIKeyNSZIJGFCWWBRDM-UHFFFAOYSA-N
XLogP3.95
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.57
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-N-methylbenzenesulfonamide?
The IUPAC name of 3-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-N-methylbenzenesulfonamide (CID 151254243) is 3-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-N-methylbenzenesulfonamide?
The canonical SMILES for 3-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cccc(Nc2cc(Oc3cn(C4CC4)nc3C3CCOCC3)ccn2)c1.
What is the InChIKey of 3-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-N-methylbenzenesulfonamide?
The InChIKey is NSZIJGFCWWBRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4S/c1-24-33(29,30)20-4-2-3-17(13-20)26-22-14-19(7-10-25-22)32-21-15-28(18-5-6-18)27-23(21)16-8-11-31-12-9-16/h2-4,7,10,13-16,18,24H,5-6,8-9,11-12H2,1H3,(H,25,26).
What are the key properties of 3-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-N-methylbenzenesulfonamide?
3-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-N-methylbenzenesulfonamide has a molecular weight of 469.57 g/mol, XLogP of 3.95, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 151254243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).