3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid

C23H21N5O3 — CID 126742967

IUPAC3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCc1nn(-c2ccccc2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)nc3)c12
InChIInChI=1S/C23H21N5O3/c1-15-21-18(16-7-8-20(24-14-16)27-9-11-31-12-10-27)13-19(23(29)30)25-22(21)28(26-15)17-5-3-2-4-6-17/h2-8,13-14H,9-12H2,1H3,(H,29,30)
InChIKeyAXUUHLIQPZMKEH-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.33
Rot. Bonds4

About 3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid

3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 126742967) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is 3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
PubChem CID126742967
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC Name3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCc1nn(-c2ccccc2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)nc3)c12
InChIInChI=1S/C23H21N5O3/c1-15-21-18(16-7-8-20(24-14-16)27-9-11-31-12-10-27)13-19(23(29)30)25-22(21)28(26-15)17-5-3-2-4-6-17/h2-8,13-14H,9-12H2,1H3,(H,29,30)
InChIKeyAXUUHLIQPZMKEH-UHFFFAOYSA-N
XLogP3.33
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 126742967) is 3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid is Cc1nn(-c2ccccc2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)nc3)c12.
What is the InChIKey of 3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The InChIKey is AXUUHLIQPZMKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-15-21-18(16-7-8-20(24-14-16)27-9-11-31-12-10-27)13-19(23(29)30)25-22(21)28(26-15)17-5-3-2-4-6-17/h2-8,13-14H,9-12H2,1H3,(H,29,30).
What are the key properties of 3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 415.45 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 126742967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).