7-[2-[4-(6-fluoro-1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one

C21H22FN5OS — CID 146343549

IUPAC7-[2-[4-(6-fluoro-1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one
SMILESO=C1c2ncccc2CCN1CCN1CCN(c2nsc3cc(F)ccc23)CC1
InChIInChI=1S/C21H22FN5OS/c22-16-3-4-17-18(14-16)29-24-20(17)26-11-8-25(9-12-26)10-13-27-7-5-15-2-1-6-23-19(15)21(27)28/h1-4,6,14H,5,7-13H2
InChIKeyBYQMYVGRWGMPRV-UHFFFAOYSA-N
MW411.51 g/mol
LogP2.65
Rot. Bonds4

About 7-[2-[4-(6-fluoro-1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one

7-[2-[4-(6-fluoro-1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one (PubChem CID 146343549) has the molecular formula C21H22FN5OS and a molecular weight of 411.51 g/mol. Its IUPAC name is 7-[2-[4-(6-fluoro-1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one.

Molecular Properties

Compound Name7-[2-[4-(6-fluoro-1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one
PubChem CID146343549
Molecular FormulaC21H22FN5OS
Molecular Weight411.51 g/mol
Exact Mass411.15
IUPAC Name7-[2-[4-(6-fluoro-1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one
SMILESO=C1c2ncccc2CCN1CCN1CCN(c2nsc3cc(F)ccc23)CC1
InChIInChI=1S/C21H22FN5OS/c22-16-3-4-17-18(14-16)29-24-20(17)26-11-8-25(9-12-26)10-13-27-7-5-15-2-1-6-23-19(15)21(27)28/h1-4,6,14H,5,7-13H2
InChIKeyBYQMYVGRWGMPRV-UHFFFAOYSA-N
XLogP2.65
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[2-[4-(6-fluoro-1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one?
The IUPAC name of 7-[2-[4-(6-fluoro-1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one (CID 146343549) is 7-[2-[4-(6-fluoro-1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one.
What is the SMILES notation for 7-[2-[4-(6-fluoro-1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one?
The canonical SMILES for 7-[2-[4-(6-fluoro-1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one is O=C1c2ncccc2CCN1CCN1CCN(c2nsc3cc(F)ccc23)CC1.
What is the InChIKey of 7-[2-[4-(6-fluoro-1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one?
The InChIKey is BYQMYVGRWGMPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5OS/c22-16-3-4-17-18(14-16)29-24-20(17)26-11-8-25(9-12-26)10-13-27-7-5-15-2-1-6-23-19(15)21(27)28/h1-4,6,14H,5,7-13H2.
What are the key properties of 7-[2-[4-(6-fluoro-1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one?
7-[2-[4-(6-fluoro-1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one has a molecular weight of 411.51 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[4-(6-fluoro-1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one is sourced from PubChem (CID 146343549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).