5-(2-ethoxy-3-pyridinyl)-1-methyl-7-pyrrolidin-1-ylpyrazolo[4,5-b]pyridine

C18H21N5O — CID 142608409

IUPAC5-(2-ethoxy-3-pyridinyl)-1-methyl-7-pyrrolidin-1-ylpyrazolo[4,5-b]pyridine
SMILESCCOc1ncccc1-c1cc(N2CCCC2)c2c(cnn2C)n1
InChIInChI=1S/C18H21N5O/c1-3-24-18-13(7-6-8-19-18)14-11-16(23-9-4-5-10-23)17-15(21-14)12-20-22(17)2/h6-8,11-12H,3-5,9-10H2,1-2H3
InChIKeyCNDFHFACHKNMQH-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.03
Rot. Bonds4

About 5-(2-ethoxy-3-pyridinyl)-1-methyl-7-pyrrolidin-1-ylpyrazolo[4,5-b]pyridine

5-(2-ethoxy-3-pyridinyl)-1-methyl-7-pyrrolidin-1-ylpyrazolo[4,5-b]pyridine (PubChem CID 142608409) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 5-(2-ethoxy-3-pyridinyl)-1-methyl-7-pyrrolidin-1-ylpyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name5-(2-ethoxy-3-pyridinyl)-1-methyl-7-pyrrolidin-1-ylpyrazolo[4,5-b]pyridine
PubChem CID142608409
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name5-(2-ethoxy-3-pyridinyl)-1-methyl-7-pyrrolidin-1-ylpyrazolo[4,5-b]pyridine
SMILESCCOc1ncccc1-c1cc(N2CCCC2)c2c(cnn2C)n1
InChIInChI=1S/C18H21N5O/c1-3-24-18-13(7-6-8-19-18)14-11-16(23-9-4-5-10-23)17-15(21-14)12-20-22(17)2/h6-8,11-12H,3-5,9-10H2,1-2H3
InChIKeyCNDFHFACHKNMQH-UHFFFAOYSA-N
XLogP3.03
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxy-3-pyridinyl)-1-methyl-7-pyrrolidin-1-ylpyrazolo[4,5-b]pyridine?
The IUPAC name of 5-(2-ethoxy-3-pyridinyl)-1-methyl-7-pyrrolidin-1-ylpyrazolo[4,5-b]pyridine (CID 142608409) is 5-(2-ethoxy-3-pyridinyl)-1-methyl-7-pyrrolidin-1-ylpyrazolo[4,5-b]pyridine.
What is the SMILES notation for 5-(2-ethoxy-3-pyridinyl)-1-methyl-7-pyrrolidin-1-ylpyrazolo[4,5-b]pyridine?
The canonical SMILES for 5-(2-ethoxy-3-pyridinyl)-1-methyl-7-pyrrolidin-1-ylpyrazolo[4,5-b]pyridine is CCOc1ncccc1-c1cc(N2CCCC2)c2c(cnn2C)n1.
What is the InChIKey of 5-(2-ethoxy-3-pyridinyl)-1-methyl-7-pyrrolidin-1-ylpyrazolo[4,5-b]pyridine?
The InChIKey is CNDFHFACHKNMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-3-24-18-13(7-6-8-19-18)14-11-16(23-9-4-5-10-23)17-15(21-14)12-20-22(17)2/h6-8,11-12H,3-5,9-10H2,1-2H3.
What are the key properties of 5-(2-ethoxy-3-pyridinyl)-1-methyl-7-pyrrolidin-1-ylpyrazolo[4,5-b]pyridine?
5-(2-ethoxy-3-pyridinyl)-1-methyl-7-pyrrolidin-1-ylpyrazolo[4,5-b]pyridine has a molecular weight of 323.40 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxy-3-pyridinyl)-1-methyl-7-pyrrolidin-1-ylpyrazolo[4,5-b]pyridine is sourced from PubChem (CID 142608409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).