5-(1-methylpyrazol-4-yl)-3-[3-(1-methylpyrazol-4-yl)phenyl]furo[3,2-b]pyridine

C21H17N5O — CID 162674985

IUPAC5-(1-methylpyrazol-4-yl)-3-[3-(1-methylpyrazol-4-yl)phenyl]furo[3,2-b]pyridine
SMILESCn1cc(-c2cccc(-c3coc4ccc(-c5cnn(C)c5)nc34)c2)cn1
InChIInChI=1S/C21H17N5O/c1-25-11-16(9-22-25)14-4-3-5-15(8-14)18-13-27-20-7-6-19(24-21(18)20)17-10-23-26(2)12-17/h3-13H,1-2H3
InChIKeyXQQYRDDJENLAME-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.30
Rot. Bonds3

About 5-(1-methylpyrazol-4-yl)-3-[3-(1-methylpyrazol-4-yl)phenyl]furo[3,2-b]pyridine

5-(1-methylpyrazol-4-yl)-3-[3-(1-methylpyrazol-4-yl)phenyl]furo[3,2-b]pyridine (PubChem CID 162674985) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-3-[3-(1-methylpyrazol-4-yl)phenyl]furo[3,2-b]pyridine.

Molecular Properties

Compound Name5-(1-methylpyrazol-4-yl)-3-[3-(1-methylpyrazol-4-yl)phenyl]furo[3,2-b]pyridine
PubChem CID162674985
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC Name5-(1-methylpyrazol-4-yl)-3-[3-(1-methylpyrazol-4-yl)phenyl]furo[3,2-b]pyridine
SMILESCn1cc(-c2cccc(-c3coc4ccc(-c5cnn(C)c5)nc34)c2)cn1
InChIInChI=1S/C21H17N5O/c1-25-11-16(9-22-25)14-4-3-5-15(8-14)18-13-27-20-7-6-19(24-21(18)20)17-10-23-26(2)12-17/h3-13H,1-2H3
InChIKeyXQQYRDDJENLAME-UHFFFAOYSA-N
XLogP4.30
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-4-yl)-3-[3-(1-methylpyrazol-4-yl)phenyl]furo[3,2-b]pyridine?
The IUPAC name of 5-(1-methylpyrazol-4-yl)-3-[3-(1-methylpyrazol-4-yl)phenyl]furo[3,2-b]pyridine (CID 162674985) is 5-(1-methylpyrazol-4-yl)-3-[3-(1-methylpyrazol-4-yl)phenyl]furo[3,2-b]pyridine.
What is the SMILES notation for 5-(1-methylpyrazol-4-yl)-3-[3-(1-methylpyrazol-4-yl)phenyl]furo[3,2-b]pyridine?
The canonical SMILES for 5-(1-methylpyrazol-4-yl)-3-[3-(1-methylpyrazol-4-yl)phenyl]furo[3,2-b]pyridine is Cn1cc(-c2cccc(-c3coc4ccc(-c5cnn(C)c5)nc34)c2)cn1.
What is the InChIKey of 5-(1-methylpyrazol-4-yl)-3-[3-(1-methylpyrazol-4-yl)phenyl]furo[3,2-b]pyridine?
The InChIKey is XQQYRDDJENLAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O/c1-25-11-16(9-22-25)14-4-3-5-15(8-14)18-13-27-20-7-6-19(24-21(18)20)17-10-23-26(2)12-17/h3-13H,1-2H3.
What are the key properties of 5-(1-methylpyrazol-4-yl)-3-[3-(1-methylpyrazol-4-yl)phenyl]furo[3,2-b]pyridine?
5-(1-methylpyrazol-4-yl)-3-[3-(1-methylpyrazol-4-yl)phenyl]furo[3,2-b]pyridine has a molecular weight of 355.40 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-4-yl)-3-[3-(1-methylpyrazol-4-yl)phenyl]furo[3,2-b]pyridine is sourced from PubChem (CID 162674985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).