N-[2-(2-fluorophenoxy)ethyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-carboxamide

C18H19FN4O2 — CID 31342972

IUPACN-[2-(2-fluorophenoxy)ethyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)N(C)CCOc3ccccc3F)cc12
InChIInChI=1S/C18H19FN4O2/c1-12-14-10-13(11-20-17(14)23(3)21-12)18(24)22(2)8-9-25-16-7-5-4-6-15(16)19/h4-7,10-11H,8-9H2,1-3H3
InChIKeyXEDNYQYLULFYFX-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.57
Rot. Bonds5

About N-[2-(2-fluorophenoxy)ethyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-carboxamide

N-[2-(2-fluorophenoxy)ethyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 31342972) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)ethyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)ethyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID31342972
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC NameN-[2-(2-fluorophenoxy)ethyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)N(C)CCOc3ccccc3F)cc12
InChIInChI=1S/C18H19FN4O2/c1-12-14-10-13(11-20-17(14)23(3)21-12)18(24)22(2)8-9-25-16-7-5-4-6-15(16)19/h4-7,10-11H,8-9H2,1-3H3
InChIKeyXEDNYQYLULFYFX-UHFFFAOYSA-N
XLogP2.57
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,1,3-trimethyl-N-[2-(2-methylphenoxy)ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 31342976
6-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-3-carboxamide
CID 60675865
2-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 61294548
3-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide
CID 134044702
N-[2-(2-fluorophenoxy)ethyl]-N-methylnaphthalene-2-carboxamide
CID 26960272
N-(2-hydroxyethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-carboxamide
CID 111122114
N-[2-(2-fluorophenoxy)ethyl]-N,2,3-trimethyl-1H-indole-5-carboxamide
CID 18119969
2-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 60692835
N-[(4-tert-butylphenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 46566637
3-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide
CID 60936955
N-[2-(2-fluorophenoxy)ethyl]-1-(4-fluorophenyl)-N,3,5-trimethylpyrazole-4-carboxamide
CID 46656087
2-[4-[[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-methylamino]methyl]phenoxy]acetic acid
CID 120538073

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-carboxamide (CID 31342972) is N-[2-(2-fluorophenoxy)ethyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)ethyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)ethyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-carboxamide is Cc1nn(C)c2ncc(C(=O)N(C)CCOc3ccccc3F)cc12.
What is the InChIKey of N-[2-(2-fluorophenoxy)ethyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is XEDNYQYLULFYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2/c1-12-14-10-13(11-20-17(14)23(3)21-12)18(24)22(2)8-9-25-16-7-5-4-6-15(16)19/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of N-[2-(2-fluorophenoxy)ethyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
N-[2-(2-fluorophenoxy)ethyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 342.37 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)ethyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 31342972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).