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

C20H15N5O — CID 162659645

IUPAC5-(1-methylpyrazol-4-yl)-3-[3-(1H-pyrazol-5-yl)phenyl]furo[3,2-b]pyridine
SMILESCn1cc(-c2ccc3occ(-c4cccc(-c5ccn[nH]5)c4)c3n2)cn1
InChIInChI=1S/C20H15N5O/c1-25-11-15(10-22-25)17-5-6-19-20(23-17)16(12-26-19)13-3-2-4-14(9-13)18-7-8-21-24-18/h2-12H,1H3,(H,21,24)
InChIKeyMEZZCEDCBNWCRR-UHFFFAOYSA-N
MW341.37 g/mol
LogP4.29
Rot. Bonds3

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

5-(1-methylpyrazol-4-yl)-3-[3-(1H-pyrazol-5-yl)phenyl]furo[3,2-b]pyridine (PubChem CID 162659645) has the molecular formula C20H15N5O and a molecular weight of 341.37 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-3-[3-(1H-pyrazol-5-yl)phenyl]furo[3,2-b]pyridine.

Molecular Properties

Compound Name5-(1-methylpyrazol-4-yl)-3-[3-(1H-pyrazol-5-yl)phenyl]furo[3,2-b]pyridine
PubChem CID162659645
Molecular FormulaC20H15N5O
Molecular Weight341.37 g/mol
Exact Mass341.13
IUPAC Name5-(1-methylpyrazol-4-yl)-3-[3-(1H-pyrazol-5-yl)phenyl]furo[3,2-b]pyridine
SMILESCn1cc(-c2ccc3occ(-c4cccc(-c5ccn[nH]5)c4)c3n2)cn1
InChIInChI=1S/C20H15N5O/c1-25-11-15(10-22-25)17-5-6-19-20(23-17)16(12-26-19)13-3-2-4-14(9-13)18-7-8-21-24-18/h2-12H,1H3,(H,21,24)
InChIKeyMEZZCEDCBNWCRR-UHFFFAOYSA-N
XLogP4.29
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-4-yl)-3-[3-(1H-pyrazol-5-yl)phenyl]furo[3,2-b]pyridine?
The IUPAC name of 5-(1-methylpyrazol-4-yl)-3-[3-(1H-pyrazol-5-yl)phenyl]furo[3,2-b]pyridine (CID 162659645) is 5-(1-methylpyrazol-4-yl)-3-[3-(1H-pyrazol-5-yl)phenyl]furo[3,2-b]pyridine.
What is the SMILES notation for 5-(1-methylpyrazol-4-yl)-3-[3-(1H-pyrazol-5-yl)phenyl]furo[3,2-b]pyridine?
The canonical SMILES for 5-(1-methylpyrazol-4-yl)-3-[3-(1H-pyrazol-5-yl)phenyl]furo[3,2-b]pyridine is Cn1cc(-c2ccc3occ(-c4cccc(-c5ccn[nH]5)c4)c3n2)cn1.
What is the InChIKey of 5-(1-methylpyrazol-4-yl)-3-[3-(1H-pyrazol-5-yl)phenyl]furo[3,2-b]pyridine?
The InChIKey is MEZZCEDCBNWCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O/c1-25-11-15(10-22-25)17-5-6-19-20(23-17)16(12-26-19)13-3-2-4-14(9-13)18-7-8-21-24-18/h2-12H,1H3,(H,21,24).
What are the key properties of 5-(1-methylpyrazol-4-yl)-3-[3-(1H-pyrazol-5-yl)phenyl]furo[3,2-b]pyridine?
5-(1-methylpyrazol-4-yl)-3-[3-(1H-pyrazol-5-yl)phenyl]furo[3,2-b]pyridine has a molecular weight of 341.37 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-4-yl)-3-[3-(1H-pyrazol-5-yl)phenyl]furo[3,2-b]pyridine is sourced from PubChem (CID 162659645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).