6-morpholin-4-yl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid

C17H17N5O3 — CID 71601206

IUPAC6-morpholin-4-yl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(N2CCOCC2)nc2c1cnn2Cc1ccncc1
InChIInChI=1S/C17H17N5O3/c23-17(24)13-9-15(21-5-7-25-8-6-21)20-16-14(13)10-19-22(16)11-12-1-3-18-4-2-12/h1-4,9-10H,5-8,11H2,(H,23,24)
InChIKeyYUJGXCIALNWPTQ-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.41
Rot. Bonds4

About 6-morpholin-4-yl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid

6-morpholin-4-yl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 71601206) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 6-morpholin-4-yl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-morpholin-4-yl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID71601206
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name6-morpholin-4-yl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(N2CCOCC2)nc2c1cnn2Cc1ccncc1
InChIInChI=1S/C17H17N5O3/c23-17(24)13-9-15(21-5-7-25-8-6-21)20-16-14(13)10-19-22(16)11-12-1-3-18-4-2-12/h1-4,9-10H,5-8,11H2,(H,23,24)
InChIKeyYUJGXCIALNWPTQ-UHFFFAOYSA-N
XLogP1.41
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-morpholin-4-yl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 71601206) is 6-morpholin-4-yl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-morpholin-4-yl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-morpholin-4-yl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid is O=C(O)c1cc(N2CCOCC2)nc2c1cnn2Cc1ccncc1.
What is the InChIKey of 6-morpholin-4-yl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is YUJGXCIALNWPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c23-17(24)13-9-15(21-5-7-25-8-6-21)20-16-14(13)10-19-22(16)11-12-1-3-18-4-2-12/h1-4,9-10H,5-8,11H2,(H,23,24).
What are the key properties of 6-morpholin-4-yl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
6-morpholin-4-yl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 339.36 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 71601206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).