1-[4-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]-2-pyridinyl]ethanone

C25H24N4O2 — CID 171471440

IUPAC1-[4-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]-2-pyridinyl]ethanone
SMILESCC(=O)c1cc(-c2coc3cc(-c4ccc(N5CCN(C)CC5)cc4)cnc23)ccn1
InChIInChI=1S/C25H24N4O2/c1-17(30)23-13-19(7-8-26-23)22-16-31-24-14-20(15-27-25(22)24)18-3-5-21(6-4-18)29-11-9-28(2)10-12-29/h3-8,13-16H,9-12H2,1-2H3
InChIKeyVMLFWTDHYNRGTR-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.51
Rot. Bonds4

About 1-[4-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]-2-pyridinyl]ethanone

1-[4-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]-2-pyridinyl]ethanone (PubChem CID 171471440) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 1-[4-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[4-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]-2-pyridinyl]ethanone
PubChem CID171471440
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name1-[4-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]-2-pyridinyl]ethanone
SMILESCC(=O)c1cc(-c2coc3cc(-c4ccc(N5CCN(C)CC5)cc4)cnc23)ccn1
InChIInChI=1S/C25H24N4O2/c1-17(30)23-13-19(7-8-26-23)22-16-31-24-14-20(15-27-25(22)24)18-3-5-21(6-4-18)29-11-9-28(2)10-12-29/h3-8,13-16H,9-12H2,1-2H3
InChIKeyVMLFWTDHYNRGTR-UHFFFAOYSA-N
XLogP4.51
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]-2-pyridinyl]ethanone with MolForge

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Related Compounds

4-[3-(4-Fluorophenyl)furo[3,2-b]pyridin-2-yl]pyridine
CID 10935149
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(3-pyridyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280148
1-(4-benzoylpiperazin-1-yl)-2-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
CID 5280154
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(2-pyridyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280158
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(4-pyridyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280172
1-(4-benzoylpiperazin-1-yl)-2-[7-(2-furyl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280179
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(6-methyl-2-pyridyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280185
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(6-methoxy-2-pyridyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280186
1-(4-benzoylpiperazin-1-yl)-2-[7-(3-furyl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280191
1-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 5280206
1-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[(3R)-3-methyl-4-(pyridine-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 15958861
5-(1-Methyl-1H-pyrazol-4-yl)-3-(3-(pyridin-4-yl)phenyl)furo[3,2-b]pyridine
CID 155891794

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]-2-pyridinyl]ethanone?
The IUPAC name of 1-[4-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]-2-pyridinyl]ethanone (CID 171471440) is 1-[4-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[4-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]-2-pyridinyl]ethanone?
The canonical SMILES for 1-[4-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]-2-pyridinyl]ethanone is CC(=O)c1cc(-c2coc3cc(-c4ccc(N5CCN(C)CC5)cc4)cnc23)ccn1.
What is the InChIKey of 1-[4-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]-2-pyridinyl]ethanone?
The InChIKey is VMLFWTDHYNRGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-17(30)23-13-19(7-8-26-23)22-16-31-24-14-20(15-27-25(22)24)18-3-5-21(6-4-18)29-11-9-28(2)10-12-29/h3-8,13-16H,9-12H2,1-2H3.
What are the key properties of 1-[4-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]-2-pyridinyl]ethanone?
1-[4-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]-2-pyridinyl]ethanone has a molecular weight of 412.49 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]-2-pyridinyl]ethanone is sourced from PubChem (CID 171471440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).