N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]phenyl]methyl]methanesulfonamide

C28H22FN5O3S — CID 137115548

IUPACN-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(O)c6)cc45)cc23)c1
InChIInChI=1S/C28H22FN5O3S/c1-38(36,37)31-13-16-7-18(9-20(29)8-16)22-3-2-4-25-23(22)12-27(32-25)28-24-11-17(5-6-26(24)33-34-28)19-10-21(35)15-30-14-19/h2-12,14-15,31-32,35H,13H2,1H3,(H,33,34)
InChIKeyPKXFHZIKMOYEMV-UHFFFAOYSA-N
MW527.58 g/mol
LogP5.33
Rot. Bonds6

About N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]phenyl]methyl]methanesulfonamide

N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]phenyl]methyl]methanesulfonamide (PubChem CID 137115548) has the molecular formula C28H22FN5O3S and a molecular weight of 527.58 g/mol. Its IUPAC name is N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]phenyl]methyl]methanesulfonamide
PubChem CID137115548
Molecular FormulaC28H22FN5O3S
Molecular Weight527.58 g/mol
Exact Mass527.14
IUPAC NameN-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(O)c6)cc45)cc23)c1
InChIInChI=1S/C28H22FN5O3S/c1-38(36,37)31-13-16-7-18(9-20(29)8-16)22-3-2-4-25-23(22)12-27(32-25)28-24-11-17(5-6-26(24)33-34-28)19-10-21(35)15-30-14-19/h2-12,14-15,31-32,35H,13H2,1H3,(H,33,34)
InChIKeyPKXFHZIKMOYEMV-UHFFFAOYSA-N
XLogP5.33
TPSA123.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.58
LogP ≤ 55.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]phenyl]methyl]methanesulfonamide 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 N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]phenyl]methyl]methanesulfonamide?
The IUPAC name of N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]phenyl]methyl]methanesulfonamide (CID 137115548) is N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]phenyl]methyl]methanesulfonamide is CS(=O)(=O)NCc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(O)c6)cc45)cc23)c1.
What is the InChIKey of N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]phenyl]methyl]methanesulfonamide?
The InChIKey is PKXFHZIKMOYEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22FN5O3S/c1-38(36,37)31-13-16-7-18(9-20(29)8-16)22-3-2-4-25-23(22)12-27(32-25)28-24-11-17(5-6-26(24)33-34-28)19-10-21(35)15-30-14-19/h2-12,14-15,31-32,35H,13H2,1H3,(H,33,34).
What are the key properties of N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]phenyl]methyl]methanesulfonamide?
N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]phenyl]methyl]methanesulfonamide has a molecular weight of 527.58 g/mol, XLogP of 5.33, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 137115548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).