5-(2-ethoxy-3-pyridinyl)-N,1-bis(oxolan-3-yl)pyrazolo[4,5-b]pyridin-7-amine

C21H25N5O3 — CID 142608393

IUPAC5-(2-ethoxy-3-pyridinyl)-N,1-bis(oxolan-3-yl)pyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1ncccc1-c1cc(NC2CCOC2)c2c(cnn2C2CCOC2)n1
InChIInChI=1S/C21H25N5O3/c1-2-29-21-16(4-3-7-22-21)17-10-18(24-14-5-8-27-12-14)20-19(25-17)11-23-26(20)15-6-9-28-13-15/h3-4,7,10-11,14-15H,2,5-6,8-9,12-13H2,1H3,(H,24,25)
InChIKeyRUXLOBIFDNRKTD-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.05
Rot. Bonds6

About 5-(2-ethoxy-3-pyridinyl)-N,1-bis(oxolan-3-yl)pyrazolo[4,5-b]pyridin-7-amine

5-(2-ethoxy-3-pyridinyl)-N,1-bis(oxolan-3-yl)pyrazolo[4,5-b]pyridin-7-amine (PubChem CID 142608393) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 5-(2-ethoxy-3-pyridinyl)-N,1-bis(oxolan-3-yl)pyrazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-(2-ethoxy-3-pyridinyl)-N,1-bis(oxolan-3-yl)pyrazolo[4,5-b]pyridin-7-amine
PubChem CID142608393
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name5-(2-ethoxy-3-pyridinyl)-N,1-bis(oxolan-3-yl)pyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1ncccc1-c1cc(NC2CCOC2)c2c(cnn2C2CCOC2)n1
InChIInChI=1S/C21H25N5O3/c1-2-29-21-16(4-3-7-22-21)17-10-18(24-14-5-8-27-12-14)20-19(25-17)11-23-26(20)15-6-9-28-13-15/h3-4,7,10-11,14-15H,2,5-6,8-9,12-13H2,1H3,(H,24,25)
InChIKeyRUXLOBIFDNRKTD-UHFFFAOYSA-N
XLogP3.05
TPSA83.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxy-3-pyridinyl)-N,1-bis(oxolan-3-yl)pyrazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-(2-ethoxy-3-pyridinyl)-N,1-bis(oxolan-3-yl)pyrazolo[4,5-b]pyridin-7-amine (CID 142608393) is 5-(2-ethoxy-3-pyridinyl)-N,1-bis(oxolan-3-yl)pyrazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 5-(2-ethoxy-3-pyridinyl)-N,1-bis(oxolan-3-yl)pyrazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-(2-ethoxy-3-pyridinyl)-N,1-bis(oxolan-3-yl)pyrazolo[4,5-b]pyridin-7-amine is CCOc1ncccc1-c1cc(NC2CCOC2)c2c(cnn2C2CCOC2)n1.
What is the InChIKey of 5-(2-ethoxy-3-pyridinyl)-N,1-bis(oxolan-3-yl)pyrazolo[4,5-b]pyridin-7-amine?
The InChIKey is RUXLOBIFDNRKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-2-29-21-16(4-3-7-22-21)17-10-18(24-14-5-8-27-12-14)20-19(25-17)11-23-26(20)15-6-9-28-13-15/h3-4,7,10-11,14-15H,2,5-6,8-9,12-13H2,1H3,(H,24,25).
What are the key properties of 5-(2-ethoxy-3-pyridinyl)-N,1-bis(oxolan-3-yl)pyrazolo[4,5-b]pyridin-7-amine?
5-(2-ethoxy-3-pyridinyl)-N,1-bis(oxolan-3-yl)pyrazolo[4,5-b]pyridin-7-amine has a molecular weight of 395.46 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxy-3-pyridinyl)-N,1-bis(oxolan-3-yl)pyrazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 142608393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).