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

C26H20FN7O3S — CID 136937010

IUPACN-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(O)c6)cc45)nc23)c1
InChIInChI=1S/C26H20FN7O3S/c1-38(36,37)30-11-14-6-16(8-18(27)7-14)23-25-22(4-5-29-23)31-26(32-25)24-20-10-15(2-3-21(20)33-34-24)17-9-19(35)13-28-12-17/h2-10,12-13,30,35H,11H2,1H3,(H,31,32)(H,33,34)
InChIKeyVRWWUQQWRTXSBF-UHFFFAOYSA-N
MW529.56 g/mol
LogP4.12
Rot. Bonds6

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

N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide (PubChem CID 136937010) has the molecular formula C26H20FN7O3S and a molecular weight of 529.56 g/mol. Its IUPAC name is N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide
PubChem CID136937010
Molecular FormulaC26H20FN7O3S
Molecular Weight529.56 g/mol
Exact Mass529.13
IUPAC NameN-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(O)c6)cc45)nc23)c1
InChIInChI=1S/C26H20FN7O3S/c1-38(36,37)30-11-14-6-16(8-18(27)7-14)23-25-22(4-5-29-23)31-26(32-25)24-20-10-15(2-3-21(20)33-34-24)17-9-19(35)13-28-12-17/h2-10,12-13,30,35H,11H2,1H3,(H,31,32)(H,33,34)
InChIKeyVRWWUQQWRTXSBF-UHFFFAOYSA-N
XLogP4.12
TPSA149.54 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.56
LogP ≤ 54.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide?
The IUPAC name of N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide (CID 136937010) is N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-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-imidazo[4,5-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide is CS(=O)(=O)NCc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(O)c6)cc45)nc23)c1.
What is the InChIKey of N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide?
The InChIKey is VRWWUQQWRTXSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN7O3S/c1-38(36,37)30-11-14-6-16(8-18(27)7-14)23-25-22(4-5-29-23)31-26(32-25)24-20-10-15(2-3-21(20)33-34-24)17-9-19(35)13-28-12-17/h2-10,12-13,30,35H,11H2,1H3,(H,31,32)(H,33,34).
What are the key properties of N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide?
N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide has a molecular weight of 529.56 g/mol, XLogP of 4.12, 6 rotatable bonds, 4 hydrogen bond donors, and 7 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-imidazo[4,5-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 136937010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).