5-(3,4-dimethoxyphenyl)-3-(2-methoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine

C19H17N5O3 — CID 164624607

IUPAC5-(3,4-dimethoxyphenyl)-3-(2-methoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1ncc(-c2[nH]nc3ncc(-c4ccc(OC)c(OC)c4)cc23)cn1
InChIInChI=1S/C19H17N5O3/c1-25-15-5-4-11(7-16(15)26-2)12-6-14-17(23-24-18(14)20-8-12)13-9-21-19(27-3)22-10-13/h4-10H,1-3H3,(H,20,23,24)
InChIKeyCROVEFPUGGIVBG-UHFFFAOYSA-N
MW363.38 g/mol
LogP3.11
Rot. Bonds5

About 5-(3,4-dimethoxyphenyl)-3-(2-methoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine

5-(3,4-dimethoxyphenyl)-3-(2-methoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 164624607) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-3-(2-methoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-3-(2-methoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID164624607
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC Name5-(3,4-dimethoxyphenyl)-3-(2-methoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1ncc(-c2[nH]nc3ncc(-c4ccc(OC)c(OC)c4)cc23)cn1
InChIInChI=1S/C19H17N5O3/c1-25-15-5-4-11(7-16(15)26-2)12-6-14-17(23-24-18(14)20-8-12)13-9-21-19(27-3)22-10-13/h4-10H,1-3H3,(H,20,23,24)
InChIKeyCROVEFPUGGIVBG-UHFFFAOYSA-N
XLogP3.11
TPSA95.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-3-(2-methoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-3-(2-methoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine (CID 164624607) is 5-(3,4-dimethoxyphenyl)-3-(2-methoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-3-(2-methoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-3-(2-methoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine is COc1ncc(-c2[nH]nc3ncc(-c4ccc(OC)c(OC)c4)cc23)cn1.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-3-(2-methoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is CROVEFPUGGIVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-25-15-5-4-11(7-16(15)26-2)12-6-14-17(23-24-18(14)20-8-12)13-9-21-19(27-3)22-10-13/h4-10H,1-3H3,(H,20,23,24).
What are the key properties of 5-(3,4-dimethoxyphenyl)-3-(2-methoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine?
5-(3,4-dimethoxyphenyl)-3-(2-methoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 363.38 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-3-(2-methoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 164624607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).