2,4-difluoro-N-[5-[4-[5-[[(2-hydroxy-3-morpholin-4-ylpropyl)amino]methyl]-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]benzenesulfonamide

C29H30F2N8O6S — CID 66691655

IUPAC2,4-difluoro-N-[5-[4-[5-[[(2-hydroxy-3-morpholin-4-ylpropyl)amino]methyl]-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2cc(-c3nnc(CNCC(O)CN4CCOCC4)o3)c3cn[nH]c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C29H30F2N8O6S/c1-43-29-25(38-46(41,42)26-3-2-19(30)11-23(26)31)10-18(12-33-29)17-8-21(22-14-34-35-24(22)9-17)28-37-36-27(45-28)15-32-13-20(40)16-39-4-6-44-7-5-39/h2-3,8-12,14,20,32,38,40H,4-7,13,15-16H2,1H3,(H,34,35)
InChIKeyHGTZNSUQKMQRFL-UHFFFAOYSA-N
MW656.67 g/mol
LogP2.55
Rot. Bonds12

About 2,4-difluoro-N-[5-[4-[5-[[(2-hydroxy-3-morpholin-4-ylpropyl)amino]methyl]-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]benzenesulfonamide

2,4-difluoro-N-[5-[4-[5-[[(2-hydroxy-3-morpholin-4-ylpropyl)amino]methyl]-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]benzenesulfonamide (PubChem CID 66691655) has the molecular formula C29H30F2N8O6S and a molecular weight of 656.67 g/mol. Its IUPAC name is 2,4-difluoro-N-[5-[4-[5-[[(2-hydroxy-3-morpholin-4-ylpropyl)amino]methyl]-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[5-[4-[5-[[(2-hydroxy-3-morpholin-4-ylpropyl)amino]methyl]-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]benzenesulfonamide
PubChem CID66691655
Molecular FormulaC29H30F2N8O6S
Molecular Weight656.67 g/mol
Exact Mass656.20
IUPAC Name2,4-difluoro-N-[5-[4-[5-[[(2-hydroxy-3-morpholin-4-ylpropyl)amino]methyl]-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2cc(-c3nnc(CNCC(O)CN4CCOCC4)o3)c3cn[nH]c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C29H30F2N8O6S/c1-43-29-25(38-46(41,42)26-3-2-19(30)11-23(26)31)10-18(12-33-29)17-8-21(22-14-34-35-24(22)9-17)28-37-36-27(45-28)15-32-13-20(40)16-39-4-6-44-7-5-39/h2-3,8-12,14,20,32,38,40H,4-7,13,15-16H2,1H3,(H,34,35)
InChIKeyHGTZNSUQKMQRFL-UHFFFAOYSA-N
XLogP2.55
TPSA180.62 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.67
LogP ≤ 52.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 2,4-difluoro-N-[5-[4-[5-[[(2-hydroxy-3-morpholin-4-ylpropyl)amino]methyl]-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[5-[4-[5-[[(2-hydroxy-3-morpholin-4-ylpropyl)amino]methyl]-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[5-[4-[5-[[(2-hydroxy-3-morpholin-4-ylpropyl)amino]methyl]-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]benzenesulfonamide (CID 66691655) is 2,4-difluoro-N-[5-[4-[5-[[(2-hydroxy-3-morpholin-4-ylpropyl)amino]methyl]-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[5-[4-[5-[[(2-hydroxy-3-morpholin-4-ylpropyl)amino]methyl]-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[5-[4-[5-[[(2-hydroxy-3-morpholin-4-ylpropyl)amino]methyl]-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]benzenesulfonamide is COc1ncc(-c2cc(-c3nnc(CNCC(O)CN4CCOCC4)o3)c3cn[nH]c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[5-[4-[5-[[(2-hydroxy-3-morpholin-4-ylpropyl)amino]methyl]-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]benzenesulfonamide?
The InChIKey is HGTZNSUQKMQRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F2N8O6S/c1-43-29-25(38-46(41,42)26-3-2-19(30)11-23(26)31)10-18(12-33-29)17-8-21(22-14-34-35-24(22)9-17)28-37-36-27(45-28)15-32-13-20(40)16-39-4-6-44-7-5-39/h2-3,8-12,14,20,32,38,40H,4-7,13,15-16H2,1H3,(H,34,35).
What are the key properties of 2,4-difluoro-N-[5-[4-[5-[[(2-hydroxy-3-morpholin-4-ylpropyl)amino]methyl]-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]benzenesulfonamide?
2,4-difluoro-N-[5-[4-[5-[[(2-hydroxy-3-morpholin-4-ylpropyl)amino]methyl]-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]benzenesulfonamide has a molecular weight of 656.67 g/mol, XLogP of 2.55, 12 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[5-[4-[5-[[(2-hydroxy-3-morpholin-4-ylpropyl)amino]methyl]-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 66691655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).