6-[[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]amino]-3H-furo[3,2-b]pyridin-2-one

C20H21ClN4O3 — CID 58467380

IUPAC6-[[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]amino]-3H-furo[3,2-b]pyridin-2-one
SMILESCc1cc(N2CCN(C(=O)CNc3cnc4c(c3)OC(=O)C4)CC2)ccc1Cl
InChIInChI=1S/C20H21ClN4O3/c1-13-8-15(2-3-16(13)21)24-4-6-25(7-5-24)19(26)12-22-14-9-18-17(23-11-14)10-20(27)28-18/h2-3,8-9,11,22H,4-7,10,12H2,1H3
InChIKeyUBCYCIADVBXLGG-UHFFFAOYSA-N
MW400.87 g/mol
LogP2.27
Rot. Bonds4

About 6-[[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]amino]-3H-furo[3,2-b]pyridin-2-one

6-[[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]amino]-3H-furo[3,2-b]pyridin-2-one (PubChem CID 58467380) has the molecular formula C20H21ClN4O3 and a molecular weight of 400.87 g/mol. Its IUPAC name is 6-[[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]amino]-3H-furo[3,2-b]pyridin-2-one.

Molecular Properties

Compound Name6-[[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]amino]-3H-furo[3,2-b]pyridin-2-one
PubChem CID58467380
Molecular FormulaC20H21ClN4O3
Molecular Weight400.87 g/mol
Exact Mass400.13
IUPAC Name6-[[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]amino]-3H-furo[3,2-b]pyridin-2-one
SMILESCc1cc(N2CCN(C(=O)CNc3cnc4c(c3)OC(=O)C4)CC2)ccc1Cl
InChIInChI=1S/C20H21ClN4O3/c1-13-8-15(2-3-16(13)21)24-4-6-25(7-5-24)19(26)12-22-14-9-18-17(23-11-14)10-20(27)28-18/h2-3,8-9,11,22H,4-7,10,12H2,1H3
InChIKeyUBCYCIADVBXLGG-UHFFFAOYSA-N
XLogP2.27
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]amino]-3H-furo[3,2-b]pyridin-2-one with MolForge

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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
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-[1-(3,4-dichlorophenyl)-4-hydroxypiperidin-4-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide
CID 58350853
2-(3,4-dichloroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 109002268
6-[[2-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]-2-oxoethyl]amino]-3H-1-benzofuran-2-one
CID 58467381
2-(3-chloro-4-methylanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 109004043
N-[[5-[[2-[4-(4-chloro-3-methylphenyl)-1,4-diazepan-1-yl]-2-oxoethyl]amino]-2-(methylamino)phenyl]methyl]formamide;ethane
CID 143766770
2-(2-chloro-4,6-dimethylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 109002242
1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone
CID 58237714
2-[4-[3-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-2,5-dioxoimidazolidin-4-yl]acetic acid;ethane
CID 145108957
tert-butyl 4-(4-chloro-3-methylphenyl)piperazine-1-carboxylate;ethane
CID 143766632
1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone
CID 57442936

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]amino]-3H-furo[3,2-b]pyridin-2-one?
The IUPAC name of 6-[[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]amino]-3H-furo[3,2-b]pyridin-2-one (CID 58467380) is 6-[[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]amino]-3H-furo[3,2-b]pyridin-2-one.
What is the SMILES notation for 6-[[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]amino]-3H-furo[3,2-b]pyridin-2-one?
The canonical SMILES for 6-[[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]amino]-3H-furo[3,2-b]pyridin-2-one is Cc1cc(N2CCN(C(=O)CNc3cnc4c(c3)OC(=O)C4)CC2)ccc1Cl.
What is the InChIKey of 6-[[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]amino]-3H-furo[3,2-b]pyridin-2-one?
The InChIKey is UBCYCIADVBXLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O3/c1-13-8-15(2-3-16(13)21)24-4-6-25(7-5-24)19(26)12-22-14-9-18-17(23-11-14)10-20(27)28-18/h2-3,8-9,11,22H,4-7,10,12H2,1H3.
What are the key properties of 6-[[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]amino]-3H-furo[3,2-b]pyridin-2-one?
6-[[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]amino]-3H-furo[3,2-b]pyridin-2-one has a molecular weight of 400.87 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]amino]-3H-furo[3,2-b]pyridin-2-one is sourced from PubChem (CID 58467380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).