3-(2-methoxyphenyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine

C23H23N5O — CID 59836023

IUPAC3-(2-methoxyphenyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1ccccc1-c1[nH]nc2ncc(-c3cncc(CN4CCCC4)c3)cc12
InChIInChI=1S/C23H23N5O/c1-29-21-7-3-2-6-19(21)22-20-11-18(14-25-23(20)27-26-22)17-10-16(12-24-13-17)15-28-8-4-5-9-28/h2-3,6-7,10-14H,4-5,8-9,15H2,1H3,(H,25,26,27)
InChIKeyJKBXQTDXMBBESP-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.29
Rot. Bonds5

About 3-(2-methoxyphenyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine

3-(2-methoxyphenyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 59836023) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
PubChem CID59836023
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name3-(2-methoxyphenyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1ccccc1-c1[nH]nc2ncc(-c3cncc(CN4CCCC4)c3)cc12
InChIInChI=1S/C23H23N5O/c1-29-21-7-3-2-6-19(21)22-20-11-18(14-25-23(20)27-26-22)17-10-16(12-24-13-17)15-28-8-4-5-9-28/h2-3,6-7,10-14H,4-5,8-9,15H2,1H3,(H,25,26,27)
InChIKeyJKBXQTDXMBBESP-UHFFFAOYSA-N
XLogP4.29
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-(2-methoxyphenyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (CID 59836023) is 3-(2-methoxyphenyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-(2-methoxyphenyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-(2-methoxyphenyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is COc1ccccc1-c1[nH]nc2ncc(-c3cncc(CN4CCCC4)c3)cc12.
What is the InChIKey of 3-(2-methoxyphenyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is JKBXQTDXMBBESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-29-21-7-3-2-6-19(21)22-20-11-18(14-25-23(20)27-26-22)17-10-16(12-24-13-17)15-28-8-4-5-9-28/h2-3,6-7,10-14H,4-5,8-9,15H2,1H3,(H,25,26,27).
What are the key properties of 3-(2-methoxyphenyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
3-(2-methoxyphenyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 385.47 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 59836023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).