7-[[4-(cyclopropanecarbothioyl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one

C19H24N4OS — CID 177022356

IUPAC7-[[4-(cyclopropanecarbothioyl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one
SMILESCCc1cc2ncc(CN3CCN(C(=S)C4CC4)CC3)cc2[nH]c1=O
InChIInChI=1S/C19H24N4OS/c1-2-14-10-16-17(21-18(14)24)9-13(11-20-16)12-22-5-7-23(8-6-22)19(25)15-3-4-15/h9-11,15H,2-8,12H2,1H3,(H,21,24)
InChIKeyJBTZMZUCPCXZFS-UHFFFAOYSA-N
MW356.50 g/mol
LogP2.34
Rot. Bonds4

About 7-[[4-(cyclopropanecarbothioyl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one

7-[[4-(cyclopropanecarbothioyl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one (PubChem CID 177022356) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is 7-[[4-(cyclopropanecarbothioyl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name7-[[4-(cyclopropanecarbothioyl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one
PubChem CID177022356
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name7-[[4-(cyclopropanecarbothioyl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one
SMILESCCc1cc2ncc(CN3CCN(C(=S)C4CC4)CC3)cc2[nH]c1=O
InChIInChI=1S/C19H24N4OS/c1-2-14-10-16-17(21-18(14)24)9-13(11-20-16)12-22-5-7-23(8-6-22)19(25)15-3-4-15/h9-11,15H,2-8,12H2,1H3,(H,21,24)
InChIKeyJBTZMZUCPCXZFS-UHFFFAOYSA-N
XLogP2.34
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-(cyclopropanecarbothioyl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one?
The IUPAC name of 7-[[4-(cyclopropanecarbothioyl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one (CID 177022356) is 7-[[4-(cyclopropanecarbothioyl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one.
What is the SMILES notation for 7-[[4-(cyclopropanecarbothioyl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one?
The canonical SMILES for 7-[[4-(cyclopropanecarbothioyl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one is CCc1cc2ncc(CN3CCN(C(=S)C4CC4)CC3)cc2[nH]c1=O.
What is the InChIKey of 7-[[4-(cyclopropanecarbothioyl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one?
The InChIKey is JBTZMZUCPCXZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-2-14-10-16-17(21-18(14)24)9-13(11-20-16)12-22-5-7-23(8-6-22)19(25)15-3-4-15/h9-11,15H,2-8,12H2,1H3,(H,21,24).
What are the key properties of 7-[[4-(cyclopropanecarbothioyl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one?
7-[[4-(cyclopropanecarbothioyl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one has a molecular weight of 356.50 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(cyclopropanecarbothioyl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one is sourced from PubChem (CID 177022356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).