7-(3,4-dimethoxyphenyl)-2-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-5-methylfuro[3,2-c]pyridin-4-one

C23H29N3O4 — CID 90448596

IUPAC7-(3,4-dimethoxyphenyl)-2-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-5-methylfuro[3,2-c]pyridin-4-one
SMILESCOc1ccc(-c2cn(C)c(=O)c3cc(CN4CCN(C)C[C@H]4C)oc23)cc1OC
InChIInChI=1S/C23H29N3O4/c1-15-12-24(2)8-9-26(15)13-17-11-18-22(30-17)19(14-25(3)23(18)27)16-6-7-20(28-4)21(10-16)29-5/h6-7,10-11,14-15H,8-9,12-13H2,1-5H3/t15-/m1/s1
InChIKeyQAXOWPJVBZFPOI-OAHLLOKOSA-N
MW411.50 g/mol
LogP2.95
Rot. Bonds5

About 7-(3,4-dimethoxyphenyl)-2-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-5-methylfuro[3,2-c]pyridin-4-one

7-(3,4-dimethoxyphenyl)-2-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-5-methylfuro[3,2-c]pyridin-4-one (PubChem CID 90448596) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is 7-(3,4-dimethoxyphenyl)-2-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-5-methylfuro[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name7-(3,4-dimethoxyphenyl)-2-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-5-methylfuro[3,2-c]pyridin-4-one
PubChem CID90448596
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name7-(3,4-dimethoxyphenyl)-2-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-5-methylfuro[3,2-c]pyridin-4-one
SMILESCOc1ccc(-c2cn(C)c(=O)c3cc(CN4CCN(C)C[C@H]4C)oc23)cc1OC
InChIInChI=1S/C23H29N3O4/c1-15-12-24(2)8-9-26(15)13-17-11-18-22(30-17)19(14-25(3)23(18)27)16-6-7-20(28-4)21(10-16)29-5/h6-7,10-11,14-15H,8-9,12-13H2,1-5H3/t15-/m1/s1
InChIKeyQAXOWPJVBZFPOI-OAHLLOKOSA-N
XLogP2.95
TPSA60.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-(3,4-dimethoxyphenyl)-2-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-5-methylfuro[3,2-c]pyridin-4-one with MolForge

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Related Compounds

7-[2-(cyclopropylmethoxy)-4-pyridinyl]-2-[[(2R)-4-ethyl-2-methylpiperazin-1-yl]methyl]-5-methylfuro[3,2-c]pyridin-4-one
CID 144702195
N-[4-[2-[(4-ethyl-2-methylpiperazin-1-yl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
CID 86299478
N-[4-[5-methyl-2-[[(2R)-2-methyl-4-(4-methyl-1,3-dioxetan-2-yl)piperazin-1-yl]methyl]-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
CID 144702126
N-[4-[2-[(4-formyl-2-methylpiperazin-1-yl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
CID 144702185
7-(3,4-dimethoxyphenyl)-5-methyl-2-[(3-methylmorpholin-4-yl)methyl]thieno[3,2-c]pyridin-4-one
CID 90156217
7-(3-hydroxy-4-pyridinyl)-5-methyl-2-[(2-methyl-4-methylsulfonylpiperazin-1-yl)methyl]furo[3,2-c]pyridin-4-one
CID 118662530
4-[[7-(3,4-dimethoxyphenyl)-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]methyl]-2-methylpiperazine-1-carboxylic acid
CID 90156793
tert-butyl N-[6-[7-(3,4-dimethoxyphenyl)-5-methyl-4-oxofuro[3,2-c]pyridin-2-yl]-4-ethylhexyl]-N-propylcarbamate
CID 163724059
5-methyl-2-[[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-7-[3-(oxolan-3-ylmethoxy)-4-pyridinyl]furo[3,2-c]pyridin-4-one
CID 86299611
methyl 1-[[7-(3,4-dimethoxyphenyl)-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]methyl]-4-methoxypiperazine-2-carboxylate
CID 126660711
tert-butyl 4-[[7-(3,4-dimethoxyphenyl)-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]methyl]-2-methylpiperazine-1-carboxylate
CID 122603191
5-methyl-2-(morpholin-4-ylmethyl)-7-[2-(oxan-4-ylmethoxy)-4-pyridinyl]furo[3,2-c]pyridin-4-one
CID 86299591

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethoxyphenyl)-2-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-5-methylfuro[3,2-c]pyridin-4-one?
The IUPAC name of 7-(3,4-dimethoxyphenyl)-2-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-5-methylfuro[3,2-c]pyridin-4-one (CID 90448596) is 7-(3,4-dimethoxyphenyl)-2-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-5-methylfuro[3,2-c]pyridin-4-one.
What is the SMILES notation for 7-(3,4-dimethoxyphenyl)-2-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-5-methylfuro[3,2-c]pyridin-4-one?
The canonical SMILES for 7-(3,4-dimethoxyphenyl)-2-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-5-methylfuro[3,2-c]pyridin-4-one is COc1ccc(-c2cn(C)c(=O)c3cc(CN4CCN(C)C[C@H]4C)oc23)cc1OC.
What is the InChIKey of 7-(3,4-dimethoxyphenyl)-2-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-5-methylfuro[3,2-c]pyridin-4-one?
The InChIKey is QAXOWPJVBZFPOI-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-15-12-24(2)8-9-26(15)13-17-11-18-22(30-17)19(14-25(3)23(18)27)16-6-7-20(28-4)21(10-16)29-5/h6-7,10-11,14-15H,8-9,12-13H2,1-5H3/t15-/m1/s1.
What are the key properties of 7-(3,4-dimethoxyphenyl)-2-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-5-methylfuro[3,2-c]pyridin-4-one?
7-(3,4-dimethoxyphenyl)-2-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-5-methylfuro[3,2-c]pyridin-4-one has a molecular weight of 411.50 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethoxyphenyl)-2-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-5-methylfuro[3,2-c]pyridin-4-one is sourced from PubChem (CID 90448596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).