5-[6-cyano-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-N-methylpyridine-2-carboxamide

C21H15FN6O — CID 134327663

IUPAC5-[6-cyano-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2n[nH]c3cc(C#N)c(-c4c(C)cccc4F)nc23)cn1
InChIInChI=1S/C21H15FN6O/c1-11-4-3-5-14(22)17(11)18-13(9-23)8-16-20(26-18)19(28-27-16)12-6-7-15(25-10-12)21(29)24-2/h3-8,10H,1-2H3,(H,24,29)(H,27,28)
InChIKeyDAIJQMOGMPHAGV-UHFFFAOYSA-N
MW386.39 g/mol
LogP3.37
Rot. Bonds3

About 5-[6-cyano-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-N-methylpyridine-2-carboxamide

5-[6-cyano-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-N-methylpyridine-2-carboxamide (PubChem CID 134327663) has the molecular formula C21H15FN6O and a molecular weight of 386.39 g/mol. Its IUPAC name is 5-[6-cyano-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[6-cyano-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-N-methylpyridine-2-carboxamide
PubChem CID134327663
Molecular FormulaC21H15FN6O
Molecular Weight386.39 g/mol
Exact Mass386.13
IUPAC Name5-[6-cyano-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2n[nH]c3cc(C#N)c(-c4c(C)cccc4F)nc23)cn1
InChIInChI=1S/C21H15FN6O/c1-11-4-3-5-14(22)17(11)18-13(9-23)8-16-20(26-18)19(28-27-16)12-6-7-15(25-10-12)21(29)24-2/h3-8,10H,1-2H3,(H,24,29)(H,27,28)
InChIKeyDAIJQMOGMPHAGV-UHFFFAOYSA-N
XLogP3.37
TPSA107.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.39
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[6-cyano-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[6-cyano-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-N-methylpyridine-2-carboxamide (CID 134327663) is 5-[6-cyano-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[6-cyano-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[6-cyano-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(-c2n[nH]c3cc(C#N)c(-c4c(C)cccc4F)nc23)cn1.
What is the InChIKey of 5-[6-cyano-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is DAIJQMOGMPHAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN6O/c1-11-4-3-5-14(22)17(11)18-13(9-23)8-16-20(26-18)19(28-27-16)12-6-7-15(25-10-12)21(29)24-2/h3-8,10H,1-2H3,(H,24,29)(H,27,28).
What are the key properties of 5-[6-cyano-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-N-methylpyridine-2-carboxamide?
5-[6-cyano-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 386.39 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-cyano-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 134327663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).