4-[2-[[2-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]benzenesulfonamide

C26H30N6O4S — CID 46943565

IUPAC4-[2-[[2-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2ccn3nc(-c4ccc(OCCN5CCOCC5)cc4)cc3n2)cc1
InChIInChI=1S/C26H30N6O4S/c27-37(33,34)23-7-1-20(2-8-23)9-11-28-25-10-12-32-26(29-25)19-24(30-32)21-3-5-22(6-4-21)36-18-15-31-13-16-35-17-14-31/h1-8,10,12,19H,9,11,13-18H2,(H,28,29)(H2,27,33,34)
InChIKeyFDXHOSGRJWQGBM-UHFFFAOYSA-N
MW522.63 g/mol
LogP2.41
Rot. Bonds10

About 4-[2-[[2-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]benzenesulfonamide

4-[2-[[2-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]benzenesulfonamide (PubChem CID 46943565) has the molecular formula C26H30N6O4S and a molecular weight of 522.63 g/mol. Its IUPAC name is 4-[2-[[2-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[[2-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]benzenesulfonamide
PubChem CID46943565
Molecular FormulaC26H30N6O4S
Molecular Weight522.63 g/mol
Exact Mass522.20
IUPAC Name4-[2-[[2-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2ccn3nc(-c4ccc(OCCN5CCOCC5)cc4)cc3n2)cc1
InChIInChI=1S/C26H30N6O4S/c27-37(33,34)23-7-1-20(2-8-23)9-11-28-25-10-12-32-26(29-25)19-24(30-32)21-3-5-22(6-4-21)36-18-15-31-13-16-35-17-14-31/h1-8,10,12,19H,9,11,13-18H2,(H,28,29)(H2,27,33,34)
InChIKeyFDXHOSGRJWQGBM-UHFFFAOYSA-N
XLogP2.41
TPSA124.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.63
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[[2-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]benzenesulfonamide (CID 46943565) is 4-[2-[[2-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[[2-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[[2-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCNc2ccn3nc(-c4ccc(OCCN5CCOCC5)cc4)cc3n2)cc1.
What is the InChIKey of 4-[2-[[2-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]benzenesulfonamide?
The InChIKey is FDXHOSGRJWQGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O4S/c27-37(33,34)23-7-1-20(2-8-23)9-11-28-25-10-12-32-26(29-25)19-24(30-32)21-3-5-22(6-4-21)36-18-15-31-13-16-35-17-14-31/h1-8,10,12,19H,9,11,13-18H2,(H,28,29)(H2,27,33,34).
What are the key properties of 4-[2-[[2-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]benzenesulfonamide?
4-[2-[[2-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]benzenesulfonamide has a molecular weight of 522.63 g/mol, XLogP of 2.41, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 46943565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).