N-[2-(2-fluorophenyl)ethyl]-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide

C23H21FN4O2 — CID 134799449

IUPACN-[2-(2-fluorophenyl)ethyl]-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCc3ccccc3F)c3cnn(C)c3n2)cc1
InChIInChI=1S/C23H21FN4O2/c1-28-22-19(14-26-28)18(13-21(27-22)16-7-9-17(30-2)10-8-16)23(29)25-12-11-15-5-3-4-6-20(15)24/h3-10,13-14H,11-12H2,1-2H3,(H,25,29)
InChIKeyXVNVZNDFVMAYIW-UHFFFAOYSA-N
MW404.45 g/mol
LogP3.76
Rot. Bonds6

About N-[2-(2-fluorophenyl)ethyl]-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[2-(2-fluorophenyl)ethyl]-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134799449) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134799449
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCc3ccccc3F)c3cnn(C)c3n2)cc1
InChIInChI=1S/C23H21FN4O2/c1-28-22-19(14-26-28)18(13-21(27-22)16-7-9-17(30-2)10-8-16)23(29)25-12-11-15-5-3-4-6-20(15)24/h3-10,13-14H,11-12H2,1-2H3,(H,25,29)
InChIKeyXVNVZNDFVMAYIW-UHFFFAOYSA-N
XLogP3.76
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 134799449) is N-[2-(2-fluorophenyl)ethyl]-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is COc1ccc(-c2cc(C(=O)NCCc3ccccc3F)c3cnn(C)c3n2)cc1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is XVNVZNDFVMAYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c1-28-22-19(14-26-28)18(13-21(27-22)16-7-9-17(30-2)10-8-16)23(29)25-12-11-15-5-3-4-6-20(15)24/h3-10,13-14H,11-12H2,1-2H3,(H,25,29).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 404.45 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134799449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).