2-[3-fluoro-5-[2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine

C27H23FN8O — CID 136944522

IUPAC2-[3-fluoro-5-[2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5cnc(-c6cccnc6)cc45)nc23)c1
InChIInChI=1S/C27H23FN8O/c1-36(2)8-9-37-19-11-17(10-18(28)12-19)24-26-21(5-7-30-24)32-27(33-26)25-20-13-22(16-4-3-6-29-14-16)31-15-23(20)34-35-25/h3-7,10-15H,8-9H2,1-2H3,(H,32,33)(H,34,35)
InChIKeyUBTVIBDFOWPKFA-UHFFFAOYSA-N
MW494.53 g/mol
LogP4.70
Rot. Bonds7

About 2-[3-fluoro-5-[2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine

2-[3-fluoro-5-[2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine (PubChem CID 136944522) has the molecular formula C27H23FN8O and a molecular weight of 494.53 g/mol. Its IUPAC name is 2-[3-fluoro-5-[2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[3-fluoro-5-[2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine
PubChem CID136944522
Molecular FormulaC27H23FN8O
Molecular Weight494.53 g/mol
Exact Mass494.20
IUPAC Name2-[3-fluoro-5-[2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5cnc(-c6cccnc6)cc45)nc23)c1
InChIInChI=1S/C27H23FN8O/c1-36(2)8-9-37-19-11-17(10-18(28)12-19)24-26-21(5-7-30-24)32-27(33-26)25-20-13-22(16-4-3-6-29-14-16)31-15-23(20)34-35-25/h3-7,10-15H,8-9H2,1-2H3,(H,32,33)(H,34,35)
InChIKeyUBTVIBDFOWPKFA-UHFFFAOYSA-N
XLogP4.70
TPSA108.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.53
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[3-fluoro-5-[2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine with MolForge

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Related Compounds

N,N-dimethyl-2-[[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine
CID 136947188
N,N-dimethyl-2-[[5-[3-(4-pyridin-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine
CID 137312539
4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-imidazo[4,5-c]pyridine
CID 159182817
2-[3-[2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenoxy]-N,N-dimethylethanamine
CID 136937067
2-[[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine
CID 136946182
N-[[3-fluoro-5-[2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide
CID 136946201
2-[3-fluoro-5-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine
CID 136937065
N-[5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 136937033
N-[3-fluoro-5-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 136935496
N-[3-fluoro-5-[2-(5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 137312401
2-[3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine
CID 136937046
4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine
CID 136937080

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-5-[2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[3-fluoro-5-[2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine (CID 136944522) is 2-[3-fluoro-5-[2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[3-fluoro-5-[2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[3-fluoro-5-[2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine is CN(C)CCOc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5cnc(-c6cccnc6)cc45)nc23)c1.
What is the InChIKey of 2-[3-fluoro-5-[2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine?
The InChIKey is UBTVIBDFOWPKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN8O/c1-36(2)8-9-37-19-11-17(10-18(28)12-19)24-26-21(5-7-30-24)32-27(33-26)25-20-13-22(16-4-3-6-29-14-16)31-15-23(20)34-35-25/h3-7,10-15H,8-9H2,1-2H3,(H,32,33)(H,34,35).
What are the key properties of 2-[3-fluoro-5-[2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine?
2-[3-fluoro-5-[2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine has a molecular weight of 494.53 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-5-[2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 136944522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).