2-[4-(3,5-difluoro-4-methoxyphenyl)piperazin-1-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide

C20H20F2N4O4 — CID 58467720

IUPAC2-[4-(3,5-difluoro-4-methoxyphenyl)piperazin-1-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide
SMILESCOc1c(F)cc(N2CCN(CC(=O)Nc3cnc4c(c3)OC(=O)C4)CC2)cc1F
InChIInChI=1S/C20H20F2N4O4/c1-29-20-14(21)7-13(8-15(20)22)26-4-2-25(3-5-26)11-18(27)24-12-6-17-16(23-10-12)9-19(28)30-17/h6-8,10H,2-5,9,11H2,1H3,(H,24,27)
InChIKeyDBPWHWQASUEUEK-UHFFFAOYSA-N
MW418.40 g/mol
LogP1.59
Rot. Bonds5

About 2-[4-(3,5-difluoro-4-methoxyphenyl)piperazin-1-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide

2-[4-(3,5-difluoro-4-methoxyphenyl)piperazin-1-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide (PubChem CID 58467720) has the molecular formula C20H20F2N4O4 and a molecular weight of 418.40 g/mol. Its IUPAC name is 2-[4-(3,5-difluoro-4-methoxyphenyl)piperazin-1-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide.

Molecular Properties

Compound Name2-[4-(3,5-difluoro-4-methoxyphenyl)piperazin-1-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide
PubChem CID58467720
Molecular FormulaC20H20F2N4O4
Molecular Weight418.40 g/mol
Exact Mass418.15
IUPAC Name2-[4-(3,5-difluoro-4-methoxyphenyl)piperazin-1-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide
SMILESCOc1c(F)cc(N2CCN(CC(=O)Nc3cnc4c(c3)OC(=O)C4)CC2)cc1F
InChIInChI=1S/C20H20F2N4O4/c1-29-20-14(21)7-13(8-15(20)22)26-4-2-25(3-5-26)11-18(27)24-12-6-17-16(23-10-12)9-19(28)30-17/h6-8,10H,2-5,9,11H2,1H3,(H,24,27)
InChIKeyDBPWHWQASUEUEK-UHFFFAOYSA-N
XLogP1.59
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.40
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-difluoro-4-methoxyphenyl)piperazin-1-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide?
The IUPAC name of 2-[4-(3,5-difluoro-4-methoxyphenyl)piperazin-1-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide (CID 58467720) is 2-[4-(3,5-difluoro-4-methoxyphenyl)piperazin-1-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide.
What is the SMILES notation for 2-[4-(3,5-difluoro-4-methoxyphenyl)piperazin-1-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide?
The canonical SMILES for 2-[4-(3,5-difluoro-4-methoxyphenyl)piperazin-1-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide is COc1c(F)cc(N2CCN(CC(=O)Nc3cnc4c(c3)OC(=O)C4)CC2)cc1F.
What is the InChIKey of 2-[4-(3,5-difluoro-4-methoxyphenyl)piperazin-1-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide?
The InChIKey is DBPWHWQASUEUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O4/c1-29-20-14(21)7-13(8-15(20)22)26-4-2-25(3-5-26)11-18(27)24-12-6-17-16(23-10-12)9-19(28)30-17/h6-8,10H,2-5,9,11H2,1H3,(H,24,27).
What are the key properties of 2-[4-(3,5-difluoro-4-methoxyphenyl)piperazin-1-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide?
2-[4-(3,5-difluoro-4-methoxyphenyl)piperazin-1-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide has a molecular weight of 418.40 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-difluoro-4-methoxyphenyl)piperazin-1-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide is sourced from PubChem (CID 58467720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).