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

C21H25N5O2 — CID 142608452

IUPAC5-(2-ethoxy-3-pyridinyl)-1-(oxolan-3-yl)-7-pyrrolidin-1-ylpyrazolo[4,5-b]pyridine
SMILESCCOc1ncccc1-c1cc(N2CCCC2)c2c(cnn2C2CCOC2)n1
InChIInChI=1S/C21H25N5O2/c1-2-28-21-16(6-5-8-22-21)17-12-19(25-9-3-4-10-25)20-18(24-17)13-23-26(20)15-7-11-27-14-15/h5-6,8,12-13,15H,2-4,7,9-11,14H2,1H3
InChIKeyJPKZLDVOTWLERJ-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.45
Rot. Bonds5

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

5-(2-ethoxy-3-pyridinyl)-1-(oxolan-3-yl)-7-pyrrolidin-1-ylpyrazolo[4,5-b]pyridine (PubChem CID 142608452) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 5-(2-ethoxy-3-pyridinyl)-1-(oxolan-3-yl)-7-pyrrolidin-1-ylpyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name5-(2-ethoxy-3-pyridinyl)-1-(oxolan-3-yl)-7-pyrrolidin-1-ylpyrazolo[4,5-b]pyridine
PubChem CID142608452
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name5-(2-ethoxy-3-pyridinyl)-1-(oxolan-3-yl)-7-pyrrolidin-1-ylpyrazolo[4,5-b]pyridine
SMILESCCOc1ncccc1-c1cc(N2CCCC2)c2c(cnn2C2CCOC2)n1
InChIInChI=1S/C21H25N5O2/c1-2-28-21-16(6-5-8-22-21)17-12-19(25-9-3-4-10-25)20-18(24-17)13-23-26(20)15-7-11-27-14-15/h5-6,8,12-13,15H,2-4,7,9-11,14H2,1H3
InChIKeyJPKZLDVOTWLERJ-UHFFFAOYSA-N
XLogP3.45
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

CS-526
CID 9833312
3-[(2S)-2-amino-3-[(5-{1H-pyrazolo[3,4-c]pyridin-5-yl}pyridin-3-yl)oxy]propyl]-1H-indole
CID 16040274
3-[(2S)-2-amino-3-[(5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridin-3-yl)oxy]propyl]-1H-indole
CID 23647380
2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoxaline
CID 11545641
Dihydropyrrolopyrazole, 15b
CID 21992730
Dihydropyrrolopyrazole, 15a
CID 21992811
3-[(2S)-2-amino-3-phenylpropoxy]-5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 23647437
(NE)-N-[[5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridin-3-yl]methylidene]hydroxylamine
CID 25093832
5-(1-methylpyrazol-4-yl)-3-[6-[(3R)-piperidin-3-yl]oxy-2-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 71253513
3-[(2S)-2-amino-3-phenylpropoxy]-5-{1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 23647436
3-[(2S)-2-amino-3-phenylpropoxy]-5-[3-(1-methyl-1H-pyrrol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridine
CID 23647442
US10034861, Example 165
CID 132273284

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxy-3-pyridinyl)-1-(oxolan-3-yl)-7-pyrrolidin-1-ylpyrazolo[4,5-b]pyridine?
The IUPAC name of 5-(2-ethoxy-3-pyridinyl)-1-(oxolan-3-yl)-7-pyrrolidin-1-ylpyrazolo[4,5-b]pyridine (CID 142608452) is 5-(2-ethoxy-3-pyridinyl)-1-(oxolan-3-yl)-7-pyrrolidin-1-ylpyrazolo[4,5-b]pyridine.
What is the SMILES notation for 5-(2-ethoxy-3-pyridinyl)-1-(oxolan-3-yl)-7-pyrrolidin-1-ylpyrazolo[4,5-b]pyridine?
The canonical SMILES for 5-(2-ethoxy-3-pyridinyl)-1-(oxolan-3-yl)-7-pyrrolidin-1-ylpyrazolo[4,5-b]pyridine is CCOc1ncccc1-c1cc(N2CCCC2)c2c(cnn2C2CCOC2)n1.
What is the InChIKey of 5-(2-ethoxy-3-pyridinyl)-1-(oxolan-3-yl)-7-pyrrolidin-1-ylpyrazolo[4,5-b]pyridine?
The InChIKey is JPKZLDVOTWLERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-2-28-21-16(6-5-8-22-21)17-12-19(25-9-3-4-10-25)20-18(24-17)13-23-26(20)15-7-11-27-14-15/h5-6,8,12-13,15H,2-4,7,9-11,14H2,1H3.
What are the key properties of 5-(2-ethoxy-3-pyridinyl)-1-(oxolan-3-yl)-7-pyrrolidin-1-ylpyrazolo[4,5-b]pyridine?
5-(2-ethoxy-3-pyridinyl)-1-(oxolan-3-yl)-7-pyrrolidin-1-ylpyrazolo[4,5-b]pyridine has a molecular weight of 379.46 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxy-3-pyridinyl)-1-(oxolan-3-yl)-7-pyrrolidin-1-ylpyrazolo[4,5-b]pyridine is sourced from PubChem (CID 142608452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).