7-[4-(4-thieno[2,3-c]pyridin-7-ylpiperazin-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

C23H27N5O2S — CID 11676487

IUPAC7-[4-(4-thieno[2,3-c]pyridin-7-ylpiperazin-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2ccc(OCCCCN3CCN(c4nccc5ccsc45)CC3)nc2N1
InChIInChI=1S/C23H27N5O2S/c29-19-5-3-18-4-6-20(26-22(18)25-19)30-15-2-1-10-27-11-13-28(14-12-27)23-21-17(7-9-24-23)8-16-31-21/h4,6-9,16H,1-3,5,10-15H2,(H,25,26,29)
InChIKeySWYRNMMIZQUDGW-UHFFFAOYSA-N
MW437.57 g/mol
LogP3.56
Rot. Bonds7

About 7-[4-(4-thieno[2,3-c]pyridin-7-ylpiperazin-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

7-[4-(4-thieno[2,3-c]pyridin-7-ylpiperazin-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 11676487) has the molecular formula C23H27N5O2S and a molecular weight of 437.57 g/mol. Its IUPAC name is 7-[4-(4-thieno[2,3-c]pyridin-7-ylpiperazin-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name7-[4-(4-thieno[2,3-c]pyridin-7-ylpiperazin-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID11676487
Molecular FormulaC23H27N5O2S
Molecular Weight437.57 g/mol
Exact Mass437.19
IUPAC Name7-[4-(4-thieno[2,3-c]pyridin-7-ylpiperazin-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2ccc(OCCCCN3CCN(c4nccc5ccsc45)CC3)nc2N1
InChIInChI=1S/C23H27N5O2S/c29-19-5-3-18-4-6-20(26-22(18)25-19)30-15-2-1-10-27-11-13-28(14-12-27)23-21-17(7-9-24-23)8-16-31-21/h4,6-9,16H,1-3,5,10-15H2,(H,25,26,29)
InChIKeySWYRNMMIZQUDGW-UHFFFAOYSA-N
XLogP3.56
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-[4-(4-phenylpiperazin-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 21073818
7-[4-[4-(3-ethylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 21073663
7-[4-(4-quinazolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 56598477
7-[4-[4-(5-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 21073716
7-[4-[4-(2-oxo-1,3-dihydroinden-4-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 21073630
7-[4-(4-isoquinolin-4-ylpiperazin-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 11683437
7-[4-[4-(1,2,3,4-tetrahydroisoquinolin-5-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 21073481
7-[4-[4-(2,1,3-benzoxadiazol-4-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 69419353
7-[4-[4-[2-(2-hydroxyethoxy)quinolin-8-yl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 21073526
7-[4-[4-(2,2-dimethyl-3-oxo-1H-inden-4-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 21073518
7-[4-[4-[7-(2-methoxyethoxy)naphthalen-1-yl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 21073741
7-[4-(4-isoquinolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 56598478

Frequently Asked Questions

What is the IUPAC name of 7-[4-(4-thieno[2,3-c]pyridin-7-ylpiperazin-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 7-[4-(4-thieno[2,3-c]pyridin-7-ylpiperazin-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 11676487) is 7-[4-(4-thieno[2,3-c]pyridin-7-ylpiperazin-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 7-[4-(4-thieno[2,3-c]pyridin-7-ylpiperazin-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 7-[4-(4-thieno[2,3-c]pyridin-7-ylpiperazin-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is O=C1CCc2ccc(OCCCCN3CCN(c4nccc5ccsc45)CC3)nc2N1.
What is the InChIKey of 7-[4-(4-thieno[2,3-c]pyridin-7-ylpiperazin-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is SWYRNMMIZQUDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2S/c29-19-5-3-18-4-6-20(26-22(18)25-19)30-15-2-1-10-27-11-13-28(14-12-27)23-21-17(7-9-24-23)8-16-31-21/h4,6-9,16H,1-3,5,10-15H2,(H,25,26,29).
What are the key properties of 7-[4-(4-thieno[2,3-c]pyridin-7-ylpiperazin-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
7-[4-(4-thieno[2,3-c]pyridin-7-ylpiperazin-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 437.57 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(4-thieno[2,3-c]pyridin-7-ylpiperazin-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 11676487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).