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

C20H25N5O — CID 142608448

IUPAC5-(2-ethoxy-3-pyridinyl)-1-propyl-7-pyrrolidin-1-ylpyrazolo[4,5-b]pyridine
SMILESCCCn1ncc2nc(-c3cccnc3OCC)cc(N3CCCC3)c21
InChIInChI=1S/C20H25N5O/c1-3-10-25-19-17(14-22-25)23-16(13-18(19)24-11-5-6-12-24)15-8-7-9-21-20(15)26-4-2/h7-9,13-14H,3-6,10-12H2,1-2H3
InChIKeyKPRJCTUCKTYELS-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.90
Rot. Bonds6

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

5-(2-ethoxy-3-pyridinyl)-1-propyl-7-pyrrolidin-1-ylpyrazolo[4,5-b]pyridine (PubChem CID 142608448) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 5-(2-ethoxy-3-pyridinyl)-1-propyl-7-pyrrolidin-1-ylpyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name5-(2-ethoxy-3-pyridinyl)-1-propyl-7-pyrrolidin-1-ylpyrazolo[4,5-b]pyridine
PubChem CID142608448
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name5-(2-ethoxy-3-pyridinyl)-1-propyl-7-pyrrolidin-1-ylpyrazolo[4,5-b]pyridine
SMILESCCCn1ncc2nc(-c3cccnc3OCC)cc(N3CCCC3)c21
InChIInChI=1S/C20H25N5O/c1-3-10-25-19-17(14-22-25)23-16(13-18(19)24-11-5-6-12-24)15-8-7-9-21-20(15)26-4-2/h7-9,13-14H,3-6,10-12H2,1-2H3
InChIKeyKPRJCTUCKTYELS-UHFFFAOYSA-N
XLogP3.90
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.90
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-propyl-7-pyrrolidin-1-ylpyrazolo[4,5-b]pyridine?
The IUPAC name of 5-(2-ethoxy-3-pyridinyl)-1-propyl-7-pyrrolidin-1-ylpyrazolo[4,5-b]pyridine (CID 142608448) is 5-(2-ethoxy-3-pyridinyl)-1-propyl-7-pyrrolidin-1-ylpyrazolo[4,5-b]pyridine.
What is the SMILES notation for 5-(2-ethoxy-3-pyridinyl)-1-propyl-7-pyrrolidin-1-ylpyrazolo[4,5-b]pyridine?
The canonical SMILES for 5-(2-ethoxy-3-pyridinyl)-1-propyl-7-pyrrolidin-1-ylpyrazolo[4,5-b]pyridine is CCCn1ncc2nc(-c3cccnc3OCC)cc(N3CCCC3)c21.
What is the InChIKey of 5-(2-ethoxy-3-pyridinyl)-1-propyl-7-pyrrolidin-1-ylpyrazolo[4,5-b]pyridine?
The InChIKey is KPRJCTUCKTYELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-3-10-25-19-17(14-22-25)23-16(13-18(19)24-11-5-6-12-24)15-8-7-9-21-20(15)26-4-2/h7-9,13-14H,3-6,10-12H2,1-2H3.
What are the key properties of 5-(2-ethoxy-3-pyridinyl)-1-propyl-7-pyrrolidin-1-ylpyrazolo[4,5-b]pyridine?
5-(2-ethoxy-3-pyridinyl)-1-propyl-7-pyrrolidin-1-ylpyrazolo[4,5-b]pyridine has a molecular weight of 351.45 g/mol, XLogP of 3.90, 6 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-propyl-7-pyrrolidin-1-ylpyrazolo[4,5-b]pyridine is sourced from PubChem (CID 142608448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).