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

C21H22F2N4O4 — CID 58467508

IUPAC2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-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)[C@H](C)C2)cc1F
InChIInChI=1S/C21H22F2N4O4/c1-12-10-27(14-6-15(22)21(30-2)16(23)7-14)4-3-26(12)11-19(28)25-13-5-18-17(24-9-13)8-20(29)31-18/h5-7,9,12H,3-4,8,10-11H2,1-2H3,(H,25,28)/t12-/m1/s1
InChIKeyWPUIHQKEVCCJJC-GFCCVEGCSA-N
MW432.43 g/mol
LogP1.98
Rot. Bonds5

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

2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide (PubChem CID 58467508) has the molecular formula C21H22F2N4O4 and a molecular weight of 432.43 g/mol. Its IUPAC name is 2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide.

Molecular Properties

Compound Name2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide
PubChem CID58467508
Molecular FormulaC21H22F2N4O4
Molecular Weight432.43 g/mol
Exact Mass432.16
IUPAC Name2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-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)[C@H](C)C2)cc1F
InChIInChI=1S/C21H22F2N4O4/c1-12-10-27(14-6-15(22)21(30-2)16(23)7-14)4-3-26(12)11-19(28)25-13-5-18-17(24-9-13)8-20(29)31-18/h5-7,9,12H,3-4,8,10-11H2,1-2H3,(H,25,28)/t12-/m1/s1
InChIKeyWPUIHQKEVCCJJC-GFCCVEGCSA-N
XLogP1.98
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.43
LogP ≤ 51.98
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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Related Compounds

2-[(2R)-4-(4-chloro-3-methylphenyl)-2-methylpiperazin-1-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide
CID 58467361
2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)acetamide
CID 58467672
2-[(2R)-4-(4-chloro-3-fluorophenyl)-2-methylpiperazin-1-yl]-N-(2-oxo-3H-1-benzofuran-6-yl)acetamide
CID 58467666
2-[1-(3,4-dichlorophenyl)-4-hydroxypiperidin-4-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide
CID 58350853
6-[[2-[(3R)-3-methyl-4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-oxoethyl]amino]-3H-furo[3,2-b]pyridin-2-one
CID 58467384
2-[(3R)-4-(4-chloro-3,5-difluorophenyl)-3-methylpiperazin-1-yl]-N-(2-oxo-3H-1-benzofuran-6-yl)acetamide
CID 58467513
6-[[2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]amino]-1H-naphthalen-2-one
CID 58467448
6-[[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]amino]-3H-furo[3,2-b]pyridin-2-one
CID 58467380
ethyl 5-ethoxy-3-[[2-[(2S)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]acetyl]amino]-1H-indole-2-carboxylate
CID 41010880
2-[(2R)-4-(4-chloro-3-methylphenyl)-2-methylpiperazin-1-yl]-N-(6-oxo-5H-naphthalen-2-yl)acetamide
CID 58467554
N-(5-amino-6-methyl-3-pyridinyl)-2-(2-methylpyrrolidin-1-yl)acetamide
CID 167138663
2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-3-methylpiperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 175454236

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide?
The IUPAC name of 2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide (CID 58467508) is 2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide.
What is the SMILES notation for 2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide?
The canonical SMILES for 2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-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)[C@H](C)C2)cc1F.
What is the InChIKey of 2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide?
The InChIKey is WPUIHQKEVCCJJC-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H22F2N4O4/c1-12-10-27(14-6-15(22)21(30-2)16(23)7-14)4-3-26(12)11-19(28)25-13-5-18-17(24-9-13)8-20(29)31-18/h5-7,9,12H,3-4,8,10-11H2,1-2H3,(H,25,28)/t12-/m1/s1.
What are the key properties of 2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide?
2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide has a molecular weight of 432.43 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide is sourced from PubChem (CID 58467508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).