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

C22H21N3O — CID 162642894

IUPAC3-(4-cyclohexylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine
SMILESc1n[nH]cc1-c1ccc2occ(-c3ccc(C4CCCCC4)cc3)c2n1
InChIInChI=1S/C22H21N3O/c1-2-4-15(5-3-1)16-6-8-17(9-7-16)19-14-26-21-11-10-20(25-22(19)21)18-12-23-24-13-18/h6-15H,1-5H2,(H,23,24)
InChIKeyPXEZKQRPUIYVRE-UHFFFAOYSA-N
MW343.43 g/mol
LogP5.93
Rot. Bonds3

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

3-(4-cyclohexylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine (PubChem CID 162642894) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-(4-cyclohexylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine.

Molecular Properties

Compound Name3-(4-cyclohexylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine
PubChem CID162642894
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name3-(4-cyclohexylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine
SMILESc1n[nH]cc1-c1ccc2occ(-c3ccc(C4CCCCC4)cc3)c2n1
InChIInChI=1S/C22H21N3O/c1-2-4-15(5-3-1)16-6-8-17(9-7-16)19-14-26-21-11-10-20(25-22(19)21)18-12-23-24-13-18/h6-15H,1-5H2,(H,23,24)
InChIKeyPXEZKQRPUIYVRE-UHFFFAOYSA-N
XLogP5.93
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclohexylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine?
The IUPAC name of 3-(4-cyclohexylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine (CID 162642894) is 3-(4-cyclohexylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine.
What is the SMILES notation for 3-(4-cyclohexylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine?
The canonical SMILES for 3-(4-cyclohexylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine is c1n[nH]cc1-c1ccc2occ(-c3ccc(C4CCCCC4)cc3)c2n1.
What is the InChIKey of 3-(4-cyclohexylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine?
The InChIKey is PXEZKQRPUIYVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-2-4-15(5-3-1)16-6-8-17(9-7-16)19-14-26-21-11-10-20(25-22(19)21)18-12-23-24-13-18/h6-15H,1-5H2,(H,23,24).
What are the key properties of 3-(4-cyclohexylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine?
3-(4-cyclohexylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine has a molecular weight of 343.43 g/mol, XLogP of 5.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclohexylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine is sourced from PubChem (CID 162642894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).