1-(2-methoxyphenyl)-4-(4-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine

C19H16N4O — CID 56603369

IUPAC1-(2-methoxyphenyl)-4-(4-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine
SMILESCOc1ccccc1-n1ncc2c(-c3cnccc3C)ccnc21
InChIInChI=1S/C19H16N4O/c1-13-7-9-20-11-15(13)14-8-10-21-19-16(14)12-22-23(19)17-5-3-4-6-18(17)24-2/h3-12H,1-2H3
InChIKeyLPUIWRXERCXJEB-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.80
Rot. Bonds3

About 1-(2-methoxyphenyl)-4-(4-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine

1-(2-methoxyphenyl)-4-(4-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine (PubChem CID 56603369) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-(4-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-(4-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine
PubChem CID56603369
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name1-(2-methoxyphenyl)-4-(4-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine
SMILESCOc1ccccc1-n1ncc2c(-c3cnccc3C)ccnc21
InChIInChI=1S/C19H16N4O/c1-13-7-9-20-11-15(13)14-8-10-21-19-16(14)12-22-23(19)17-5-3-4-6-18(17)24-2/h3-12H,1-2H3
InChIKeyLPUIWRXERCXJEB-UHFFFAOYSA-N
XLogP3.80
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-(4-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine?
The IUPAC name of 1-(2-methoxyphenyl)-4-(4-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine (CID 56603369) is 1-(2-methoxyphenyl)-4-(4-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-(4-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-(4-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine is COc1ccccc1-n1ncc2c(-c3cnccc3C)ccnc21.
What is the InChIKey of 1-(2-methoxyphenyl)-4-(4-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine?
The InChIKey is LPUIWRXERCXJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-13-7-9-20-11-15(13)14-8-10-21-19-16(14)12-22-23(19)17-5-3-4-6-18(17)24-2/h3-12H,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-4-(4-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine?
1-(2-methoxyphenyl)-4-(4-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine has a molecular weight of 316.36 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-(4-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 56603369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).