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

C23H24N4O — CID 162647029

IUPAC3-[3-(1-methylpiperidin-4-yl)phenyl]-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine
SMILESCN1CCC(c2cccc(-c3coc4ccc(-c5cnn(C)c5)nc34)c2)CC1
InChIInChI=1S/C23H24N4O/c1-26-10-8-16(9-11-26)17-4-3-5-18(12-17)20-15-28-22-7-6-21(25-23(20)22)19-13-24-27(2)14-19/h3-7,12-16H,8-11H2,1-2H3
InChIKeyBWUOLNXJAQPJKF-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.70
Rot. Bonds3

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

3-[3-(1-methylpiperidin-4-yl)phenyl]-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine (PubChem CID 162647029) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-[3-(1-methylpiperidin-4-yl)phenyl]-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine.

Molecular Properties

Compound Name3-[3-(1-methylpiperidin-4-yl)phenyl]-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine
PubChem CID162647029
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name3-[3-(1-methylpiperidin-4-yl)phenyl]-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine
SMILESCN1CCC(c2cccc(-c3coc4ccc(-c5cnn(C)c5)nc34)c2)CC1
InChIInChI=1S/C23H24N4O/c1-26-10-8-16(9-11-26)17-4-3-5-18(12-17)20-15-28-22-7-6-21(25-23(20)22)19-13-24-27(2)14-19/h3-7,12-16H,8-11H2,1-2H3
InChIKeyBWUOLNXJAQPJKF-UHFFFAOYSA-N
XLogP4.70
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-methylpiperidin-4-yl)phenyl]-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine?
The IUPAC name of 3-[3-(1-methylpiperidin-4-yl)phenyl]-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine (CID 162647029) is 3-[3-(1-methylpiperidin-4-yl)phenyl]-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine.
What is the SMILES notation for 3-[3-(1-methylpiperidin-4-yl)phenyl]-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine?
The canonical SMILES for 3-[3-(1-methylpiperidin-4-yl)phenyl]-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine is CN1CCC(c2cccc(-c3coc4ccc(-c5cnn(C)c5)nc34)c2)CC1.
What is the InChIKey of 3-[3-(1-methylpiperidin-4-yl)phenyl]-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine?
The InChIKey is BWUOLNXJAQPJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-26-10-8-16(9-11-26)17-4-3-5-18(12-17)20-15-28-22-7-6-21(25-23(20)22)19-13-24-27(2)14-19/h3-7,12-16H,8-11H2,1-2H3.
What are the key properties of 3-[3-(1-methylpiperidin-4-yl)phenyl]-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine?
3-[3-(1-methylpiperidin-4-yl)phenyl]-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine has a molecular weight of 372.47 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-methylpiperidin-4-yl)phenyl]-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine is sourced from PubChem (CID 162647029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).