7-morpholin-4-yl-5-(3-phenylpyrazol-1-yl)furo[3,2-b]pyridine-2-carboxylic acid

C21H18N4O4 — CID 166156177

IUPAC7-morpholin-4-yl-5-(3-phenylpyrazol-1-yl)furo[3,2-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2nc(-n3ccc(-c4ccccc4)n3)cc(N3CCOCC3)c2o1
InChIInChI=1S/C21H18N4O4/c26-21(27)18-12-16-20(29-18)17(24-8-10-28-11-9-24)13-19(22-16)25-7-6-15(23-25)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2,(H,26,27)
InChIKeyVYGIFRWXYYQHFK-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.22
Rot. Bonds4

About 7-morpholin-4-yl-5-(3-phenylpyrazol-1-yl)furo[3,2-b]pyridine-2-carboxylic acid

7-morpholin-4-yl-5-(3-phenylpyrazol-1-yl)furo[3,2-b]pyridine-2-carboxylic acid (PubChem CID 166156177) has the molecular formula C21H18N4O4 and a molecular weight of 390.40 g/mol. Its IUPAC name is 7-morpholin-4-yl-5-(3-phenylpyrazol-1-yl)furo[3,2-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name7-morpholin-4-yl-5-(3-phenylpyrazol-1-yl)furo[3,2-b]pyridine-2-carboxylic acid
PubChem CID166156177
Molecular FormulaC21H18N4O4
Molecular Weight390.40 g/mol
Exact Mass390.13
IUPAC Name7-morpholin-4-yl-5-(3-phenylpyrazol-1-yl)furo[3,2-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2nc(-n3ccc(-c4ccccc4)n3)cc(N3CCOCC3)c2o1
InChIInChI=1S/C21H18N4O4/c26-21(27)18-12-16-20(29-18)17(24-8-10-28-11-9-24)13-19(22-16)25-7-6-15(23-25)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2,(H,26,27)
InChIKeyVYGIFRWXYYQHFK-UHFFFAOYSA-N
XLogP3.22
TPSA93.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-morpholin-4-yl-5-(3-phenylpyrazol-1-yl)furo[3,2-b]pyridine-2-carboxylic acid?
The IUPAC name of 7-morpholin-4-yl-5-(3-phenylpyrazol-1-yl)furo[3,2-b]pyridine-2-carboxylic acid (CID 166156177) is 7-morpholin-4-yl-5-(3-phenylpyrazol-1-yl)furo[3,2-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 7-morpholin-4-yl-5-(3-phenylpyrazol-1-yl)furo[3,2-b]pyridine-2-carboxylic acid?
The canonical SMILES for 7-morpholin-4-yl-5-(3-phenylpyrazol-1-yl)furo[3,2-b]pyridine-2-carboxylic acid is O=C(O)c1cc2nc(-n3ccc(-c4ccccc4)n3)cc(N3CCOCC3)c2o1.
What is the InChIKey of 7-morpholin-4-yl-5-(3-phenylpyrazol-1-yl)furo[3,2-b]pyridine-2-carboxylic acid?
The InChIKey is VYGIFRWXYYQHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4/c26-21(27)18-12-16-20(29-18)17(24-8-10-28-11-9-24)13-19(22-16)25-7-6-15(23-25)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2,(H,26,27).
What are the key properties of 7-morpholin-4-yl-5-(3-phenylpyrazol-1-yl)furo[3,2-b]pyridine-2-carboxylic acid?
7-morpholin-4-yl-5-(3-phenylpyrazol-1-yl)furo[3,2-b]pyridine-2-carboxylic acid has a molecular weight of 390.40 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-morpholin-4-yl-5-(3-phenylpyrazol-1-yl)furo[3,2-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 166156177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).