N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide

C25H19FN8O3S — CID 136937347

IUPACN-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cc(F)cc(-c2ccnc3nc(-c4n[nH]c5cnc(-c6cncc(O)c6)cc45)[nH]c23)c1
InChIInChI=1S/C25H19FN8O3S/c1-38(36,37)30-9-13-4-14(6-16(26)5-13)18-2-3-28-24-22(18)31-25(32-24)23-19-8-20(29-12-21(19)33-34-23)15-7-17(35)11-27-10-15/h2-8,10-12,30,35H,9H2,1H3,(H,33,34)(H,28,31,32)
InChIKeyRHKAYKLQOURQFD-UHFFFAOYSA-N
MW530.55 g/mol
LogP3.52
Rot. Bonds6

About N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide

N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide (PubChem CID 136937347) has the molecular formula C25H19FN8O3S and a molecular weight of 530.55 g/mol. Its IUPAC name is N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide
PubChem CID136937347
Molecular FormulaC25H19FN8O3S
Molecular Weight530.55 g/mol
Exact Mass530.13
IUPAC NameN-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cc(F)cc(-c2ccnc3nc(-c4n[nH]c5cnc(-c6cncc(O)c6)cc45)[nH]c23)c1
InChIInChI=1S/C25H19FN8O3S/c1-38(36,37)30-9-13-4-14(6-16(26)5-13)18-2-3-28-24-22(18)31-25(32-24)23-19-8-20(29-12-21(19)33-34-23)15-7-17(35)11-27-10-15/h2-8,10-12,30,35H,9H2,1H3,(H,33,34)(H,28,31,32)
InChIKeyRHKAYKLQOURQFD-UHFFFAOYSA-N
XLogP3.52
TPSA162.43 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.55
LogP ≤ 53.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-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-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide?
The IUPAC name of N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide (CID 136937347) is N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide is CS(=O)(=O)NCc1cc(F)cc(-c2ccnc3nc(-c4n[nH]c5cnc(-c6cncc(O)c6)cc45)[nH]c23)c1.
What is the InChIKey of N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide?
The InChIKey is RHKAYKLQOURQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN8O3S/c1-38(36,37)30-9-13-4-14(6-16(26)5-13)18-2-3-28-24-22(18)31-25(32-24)23-19-8-20(29-12-21(19)33-34-23)15-7-17(35)11-27-10-15/h2-8,10-12,30,35H,9H2,1H3,(H,33,34)(H,28,31,32).
What are the key properties of N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide?
N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide has a molecular weight of 530.55 g/mol, XLogP of 3.52, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 136937347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).