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

C25H19FN8O2S — CID 137019324

IUPACN-[[3-fluoro-5-[2-(5-pyrimidin-5-yl-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(-c6cncnc6)cc45)nc23)c1
InChIInChI=1S/C25H19FN8O2S/c1-37(35,36)30-10-14-6-16(8-18(26)7-14)22-24-21(4-5-29-22)31-25(32-24)23-19-9-15(2-3-20(19)33-34-23)17-11-27-13-28-12-17/h2-9,11-13,30H,10H2,1H3,(H,31,32)(H,33,34)
InChIKeyCPGKPCFGGUUGNY-UHFFFAOYSA-N
MW514.55 g/mol
LogP3.81
Rot. Bonds6

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

N-[[3-fluoro-5-[2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide (PubChem CID 137019324) has the molecular formula C25H19FN8O2S and a molecular weight of 514.55 g/mol. Its IUPAC name is N-[[3-fluoro-5-[2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[3-fluoro-5-[2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide
PubChem CID137019324
Molecular FormulaC25H19FN8O2S
Molecular Weight514.55 g/mol
Exact Mass514.13
IUPAC NameN-[[3-fluoro-5-[2-(5-pyrimidin-5-yl-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(-c6cncnc6)cc45)nc23)c1
InChIInChI=1S/C25H19FN8O2S/c1-37(35,36)30-10-14-6-16(8-18(26)7-14)22-24-21(4-5-29-22)31-25(32-24)23-19-9-15(2-3-20(19)33-34-23)17-11-27-13-28-12-17/h2-9,11-13,30H,10H2,1H3,(H,31,32)(H,33,34)
InChIKeyCPGKPCFGGUUGNY-UHFFFAOYSA-N
XLogP3.81
TPSA142.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.55
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-5-[2-(5-pyrimidin-5-yl-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-pyrimidin-5-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide (CID 137019324) is N-[[3-fluoro-5-[2-(5-pyrimidin-5-yl-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-pyrimidin-5-yl-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-pyrimidin-5-yl-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(-c6cncnc6)cc45)nc23)c1.
What is the InChIKey of N-[[3-fluoro-5-[2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide?
The InChIKey is CPGKPCFGGUUGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN8O2S/c1-37(35,36)30-10-14-6-16(8-18(26)7-14)22-24-21(4-5-29-22)31-25(32-24)23-19-9-15(2-3-20(19)33-34-23)17-11-27-13-28-12-17/h2-9,11-13,30H,10H2,1H3,(H,31,32)(H,33,34).
What are the key properties of N-[[3-fluoro-5-[2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide?
N-[[3-fluoro-5-[2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide has a molecular weight of 514.55 g/mol, XLogP of 3.81, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-5-[2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 137019324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).