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

C17H13N3O2 — CID 162646315

IUPAC3-(4-methoxyphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine
SMILESCOc1ccc(-c2coc3ccc(-c4cn[nH]c4)nc23)cc1
InChIInChI=1S/C17H13N3O2/c1-21-13-4-2-11(3-5-13)14-10-22-16-7-6-15(20-17(14)16)12-8-18-19-9-12/h2-10H,1H3,(H,18,19)
InChIKeyBLMDVYRPCVHXPK-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.89
Rot. Bonds3

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

3-(4-methoxyphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine (PubChem CID 162646315) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine
PubChem CID162646315
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name3-(4-methoxyphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine
SMILESCOc1ccc(-c2coc3ccc(-c4cn[nH]c4)nc23)cc1
InChIInChI=1S/C17H13N3O2/c1-21-13-4-2-11(3-5-13)14-10-22-16-7-6-15(20-17(14)16)12-8-18-19-9-12/h2-10H,1H3,(H,18,19)
InChIKeyBLMDVYRPCVHXPK-UHFFFAOYSA-N
XLogP3.89
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine?
The IUPAC name of 3-(4-methoxyphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine (CID 162646315) is 3-(4-methoxyphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine?
The canonical SMILES for 3-(4-methoxyphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine is COc1ccc(-c2coc3ccc(-c4cn[nH]c4)nc23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine?
The InChIKey is BLMDVYRPCVHXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-21-13-4-2-11(3-5-13)14-10-22-16-7-6-15(20-17(14)16)12-8-18-19-9-12/h2-10H,1H3,(H,18,19).
What are the key properties of 3-(4-methoxyphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine?
3-(4-methoxyphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine has a molecular weight of 291.31 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine is sourced from PubChem (CID 162646315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).