3-[3-(3-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide

C22H19FN4O2 — CID 25145484

IUPAC3-[3-(3-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide
SMILESCOc1c(F)cccc1-c1[nH]nc2ncc(-c3cccc(C(=O)N(C)C)c3)cc12
InChIInChI=1S/C22H19FN4O2/c1-27(2)22(28)14-7-4-6-13(10-14)15-11-17-19(25-26-21(17)24-12-15)16-8-5-9-18(23)20(16)29-3/h4-12H,1-3H3,(H,24,25,26)
InChIKeyFGRUKVDBTULFOI-UHFFFAOYSA-N
MW390.42 g/mol
LogP4.14
Rot. Bonds4

About 3-[3-(3-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide

3-[3-(3-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide (PubChem CID 25145484) has the molecular formula C22H19FN4O2 and a molecular weight of 390.42 g/mol. Its IUPAC name is 3-[3-(3-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[3-(3-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide
PubChem CID25145484
Molecular FormulaC22H19FN4O2
Molecular Weight390.42 g/mol
Exact Mass390.15
IUPAC Name3-[3-(3-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide
SMILESCOc1c(F)cccc1-c1[nH]nc2ncc(-c3cccc(C(=O)N(C)C)c3)cc12
InChIInChI=1S/C22H19FN4O2/c1-27(2)22(28)14-7-4-6-13(10-14)15-11-17-19(25-26-21(17)24-12-15)16-8-5-9-18(23)20(16)29-3/h4-12H,1-3H3,(H,24,25,26)
InChIKeyFGRUKVDBTULFOI-UHFFFAOYSA-N
XLogP4.14
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[3-(3-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide (CID 25145484) is 3-[3-(3-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[3-(3-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[3-(3-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide is COc1c(F)cccc1-c1[nH]nc2ncc(-c3cccc(C(=O)N(C)C)c3)cc12.
What is the InChIKey of 3-[3-(3-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide?
The InChIKey is FGRUKVDBTULFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2/c1-27(2)22(28)14-7-4-6-13(10-14)15-11-17-19(25-26-21(17)24-12-15)16-8-5-9-18(23)20(16)29-3/h4-12H,1-3H3,(H,24,25,26).
What are the key properties of 3-[3-(3-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide?
3-[3-(3-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide has a molecular weight of 390.42 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 25145484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).