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

C27H21FN6O3S — CID 137114216

IUPACN-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(O)c6)cc45)cc23)c1
InChIInChI=1S/C27H21FN6O3S/c1-38(36,37)31-12-15-6-17(8-19(28)7-15)26-22-11-25(32-23(22)4-5-30-26)27-21-10-16(2-3-24(21)33-34-27)18-9-20(35)14-29-13-18/h2-11,13-14,31-32,35H,12H2,1H3,(H,33,34)
InChIKeyYKUWBKPHBQVKPK-UHFFFAOYSA-N
MW528.57 g/mol
LogP4.73
Rot. Bonds6

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

N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide (PubChem CID 137114216) has the molecular formula C27H21FN6O3S and a molecular weight of 528.57 g/mol. Its IUPAC name is N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-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-pyrrolo[3,2-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide
PubChem CID137114216
Molecular FormulaC27H21FN6O3S
Molecular Weight528.57 g/mol
Exact Mass528.14
IUPAC NameN-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(O)c6)cc45)cc23)c1
InChIInChI=1S/C27H21FN6O3S/c1-38(36,37)31-12-15-6-17(8-19(28)7-15)26-22-11-25(32-23(22)4-5-30-26)27-21-10-16(2-3-24(21)33-34-27)18-9-20(35)14-29-13-18/h2-11,13-14,31-32,35H,12H2,1H3,(H,33,34)
InChIKeyYKUWBKPHBQVKPK-UHFFFAOYSA-N
XLogP4.73
TPSA136.65 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.57
LogP ≤ 54.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

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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-pyrrolo[3,2-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-pyrrolo[3,2-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide (CID 137114216) is N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-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-pyrrolo[3,2-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-pyrrolo[3,2-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide is CS(=O)(=O)NCc1cc(F)cc(-c2nccc3[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-pyrrolo[3,2-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide?
The InChIKey is YKUWBKPHBQVKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN6O3S/c1-38(36,37)31-12-15-6-17(8-19(28)7-15)26-22-11-25(32-23(22)4-5-30-26)27-21-10-16(2-3-24(21)33-34-27)18-9-20(35)14-29-13-18/h2-11,13-14,31-32,35H,12H2,1H3,(H,33,34).
What are the key properties of N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide?
N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide has a molecular weight of 528.57 g/mol, XLogP of 4.73, 6 rotatable bonds, 4 hydrogen bond donors, and 6 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-pyrrolo[3,2-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 137114216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).