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

C23H22N4O2 — CID 25145632

IUPAC2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide
SMILESCOc1ccccc1-c1[nH]nc2ncc(-c3cccc(CC(=O)N(C)C)c3)cc12
InChIInChI=1S/C23H22N4O2/c1-27(2)21(28)12-15-7-6-8-16(11-15)17-13-19-22(25-26-23(19)24-14-17)18-9-4-5-10-20(18)29-3/h4-11,13-14H,12H2,1-3H3,(H,24,25,26)
InChIKeyJFHKFVIWISEUDJ-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.93
Rot. Bonds5

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

2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide (PubChem CID 25145632) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide
PubChem CID25145632
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide
SMILESCOc1ccccc1-c1[nH]nc2ncc(-c3cccc(CC(=O)N(C)C)c3)cc12
InChIInChI=1S/C23H22N4O2/c1-27(2)21(28)12-15-7-6-8-16(11-15)17-13-19-22(25-26-23(19)24-14-17)18-9-4-5-10-20(18)29-3/h4-11,13-14H,12H2,1-3H3,(H,24,25,26)
InChIKeyJFHKFVIWISEUDJ-UHFFFAOYSA-N
XLogP3.93
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide (CID 25145632) is 2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide is COc1ccccc1-c1[nH]nc2ncc(-c3cccc(CC(=O)N(C)C)c3)cc12.
What is the InChIKey of 2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide?
The InChIKey is JFHKFVIWISEUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-27(2)21(28)12-15-7-6-8-16(11-15)17-13-19-22(25-26-23(19)24-14-17)18-9-4-5-10-20(18)29-3/h4-11,13-14H,12H2,1-3H3,(H,24,25,26).
What are the key properties of 2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide?
2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide has a molecular weight of 386.46 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide is sourced from PubChem (CID 25145632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).