[2-[3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoethyl]urea

C23H24N4O3S — CID 26138366

IUPAC[2-[3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoethyl]urea
SMILESNC(=O)NCC(=O)N1CCc2c(cc(-c3cccc4ccsc34)c(=O)n2CC2CC2)C1
InChIInChI=1S/C23H24N4O3S/c24-23(30)25-11-20(28)26-8-6-19-16(13-26)10-18(22(29)27(19)12-14-4-5-14)17-3-1-2-15-7-9-31-21(15)17/h1-3,7,9-10,14H,4-6,8,11-13H2,(H3,24,25,30)
InChIKeyCVNOBAHFUXGZBI-UHFFFAOYSA-N
MW436.54 g/mol
LogP2.69
Rot. Bonds5

About [2-[3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoethyl]urea

[2-[3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoethyl]urea (PubChem CID 26138366) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is [2-[3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoethyl]urea.

Molecular Properties

Compound Name[2-[3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoethyl]urea
PubChem CID26138366
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC Name[2-[3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoethyl]urea
SMILESNC(=O)NCC(=O)N1CCc2c(cc(-c3cccc4ccsc34)c(=O)n2CC2CC2)C1
InChIInChI=1S/C23H24N4O3S/c24-23(30)25-11-20(28)26-8-6-19-16(13-26)10-18(22(29)27(19)12-14-4-5-14)17-3-1-2-15-7-9-31-21(15)17/h1-3,7,9-10,14H,4-6,8,11-13H2,(H3,24,25,30)
InChIKeyCVNOBAHFUXGZBI-UHFFFAOYSA-N
XLogP2.69
TPSA97.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoethyl]urea?
The IUPAC name of [2-[3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoethyl]urea (CID 26138366) is [2-[3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoethyl]urea.
What is the SMILES notation for [2-[3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoethyl]urea?
The canonical SMILES for [2-[3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoethyl]urea is NC(=O)NCC(=O)N1CCc2c(cc(-c3cccc4ccsc34)c(=O)n2CC2CC2)C1.
What is the InChIKey of [2-[3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoethyl]urea?
The InChIKey is CVNOBAHFUXGZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c24-23(30)25-11-20(28)26-8-6-19-16(13-26)10-18(22(29)27(19)12-14-4-5-14)17-3-1-2-15-7-9-31-21(15)17/h1-3,7,9-10,14H,4-6,8,11-13H2,(H3,24,25,30).
What are the key properties of [2-[3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoethyl]urea?
[2-[3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoethyl]urea has a molecular weight of 436.54 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoethyl]urea is sourced from PubChem (CID 26138366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).