1-[2-[2-(4-methoxyphenyl)furo[3,2-b]pyridin-3-yl]ethynyl]cyclohexan-1-ol

C22H21NO3 — CID 24794283

IUPAC1-[2-[2-(4-methoxyphenyl)furo[3,2-b]pyridin-3-yl]ethynyl]cyclohexan-1-ol
SMILESCOc1ccc(-c2oc3cccnc3c2C#CC2(O)CCCCC2)cc1
InChIInChI=1S/C22H21NO3/c1-25-17-9-7-16(8-10-17)21-18(20-19(26-21)6-5-15-23-20)11-14-22(24)12-3-2-4-13-22/h5-10,15,24H,2-4,12-13H2,1H3
InChIKeyQLHDFYUBMNMXKC-UHFFFAOYSA-N
MW347.41 g/mol
LogP4.55
Rot. Bonds2

About 1-[2-[2-(4-methoxyphenyl)furo[3,2-b]pyridin-3-yl]ethynyl]cyclohexan-1-ol

1-[2-[2-(4-methoxyphenyl)furo[3,2-b]pyridin-3-yl]ethynyl]cyclohexan-1-ol (PubChem CID 24794283) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is 1-[2-[2-(4-methoxyphenyl)furo[3,2-b]pyridin-3-yl]ethynyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-[2-(4-methoxyphenyl)furo[3,2-b]pyridin-3-yl]ethynyl]cyclohexan-1-ol
PubChem CID24794283
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC Name1-[2-[2-(4-methoxyphenyl)furo[3,2-b]pyridin-3-yl]ethynyl]cyclohexan-1-ol
SMILESCOc1ccc(-c2oc3cccnc3c2C#CC2(O)CCCCC2)cc1
InChIInChI=1S/C22H21NO3/c1-25-17-9-7-16(8-10-17)21-18(20-19(26-21)6-5-15-23-20)11-14-22(24)12-3-2-4-13-22/h5-10,15,24H,2-4,12-13H2,1H3
InChIKeyQLHDFYUBMNMXKC-UHFFFAOYSA-N
XLogP4.55
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-methoxyphenyl)furo[3,2-b]pyridin-3-yl]ethynyl]cyclohexan-1-ol?
The IUPAC name of 1-[2-[2-(4-methoxyphenyl)furo[3,2-b]pyridin-3-yl]ethynyl]cyclohexan-1-ol (CID 24794283) is 1-[2-[2-(4-methoxyphenyl)furo[3,2-b]pyridin-3-yl]ethynyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[2-[2-(4-methoxyphenyl)furo[3,2-b]pyridin-3-yl]ethynyl]cyclohexan-1-ol?
The canonical SMILES for 1-[2-[2-(4-methoxyphenyl)furo[3,2-b]pyridin-3-yl]ethynyl]cyclohexan-1-ol is COc1ccc(-c2oc3cccnc3c2C#CC2(O)CCCCC2)cc1.
What is the InChIKey of 1-[2-[2-(4-methoxyphenyl)furo[3,2-b]pyridin-3-yl]ethynyl]cyclohexan-1-ol?
The InChIKey is QLHDFYUBMNMXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3/c1-25-17-9-7-16(8-10-17)21-18(20-19(26-21)6-5-15-23-20)11-14-22(24)12-3-2-4-13-22/h5-10,15,24H,2-4,12-13H2,1H3.
What are the key properties of 1-[2-[2-(4-methoxyphenyl)furo[3,2-b]pyridin-3-yl]ethynyl]cyclohexan-1-ol?
1-[2-[2-(4-methoxyphenyl)furo[3,2-b]pyridin-3-yl]ethynyl]cyclohexan-1-ol has a molecular weight of 347.41 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-methoxyphenyl)furo[3,2-b]pyridin-3-yl]ethynyl]cyclohexan-1-ol is sourced from PubChem (CID 24794283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).