1-(4-fluorophenyl)-3-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea

C23H26FN5O3 — CID 118712949

IUPAC1-(4-fluorophenyl)-3-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea
SMILESCOc1cnc2ccc(=O)n(CCN3CCC(NC(=O)Nc4ccc(F)cc4)CC3)c2c1
InChIInChI=1S/C23H26FN5O3/c1-32-19-14-21-20(25-15-19)6-7-22(30)29(21)13-12-28-10-8-18(9-11-28)27-23(31)26-17-4-2-16(24)3-5-17/h2-7,14-15,18H,8-13H2,1H3,(H2,26,27,31)
InChIKeyISBJYULSXCQSSJ-UHFFFAOYSA-N
MW439.49 g/mol
LogP2.83
Rot. Bonds6

About 1-(4-fluorophenyl)-3-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea

1-(4-fluorophenyl)-3-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea (PubChem CID 118712949) has the molecular formula C23H26FN5O3 and a molecular weight of 439.49 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea
PubChem CID118712949
Molecular FormulaC23H26FN5O3
Molecular Weight439.49 g/mol
Exact Mass439.20
IUPAC Name1-(4-fluorophenyl)-3-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea
SMILESCOc1cnc2ccc(=O)n(CCN3CCC(NC(=O)Nc4ccc(F)cc4)CC3)c2c1
InChIInChI=1S/C23H26FN5O3/c1-32-19-14-21-20(25-15-19)6-7-22(30)29(21)13-12-28-10-8-18(9-11-28)27-23(31)26-17-4-2-16(24)3-5-17/h2-7,14-15,18H,8-13H2,1H3,(H2,26,27,31)
InChIKeyISBJYULSXCQSSJ-UHFFFAOYSA-N
XLogP2.83
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea (CID 118712949) is 1-(4-fluorophenyl)-3-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea is COc1cnc2ccc(=O)n(CCN3CCC(NC(=O)Nc4ccc(F)cc4)CC3)c2c1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea?
The InChIKey is ISBJYULSXCQSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O3/c1-32-19-14-21-20(25-15-19)6-7-22(30)29(21)13-12-28-10-8-18(9-11-28)27-23(31)26-17-4-2-16(24)3-5-17/h2-7,14-15,18H,8-13H2,1H3,(H2,26,27,31).
What are the key properties of 1-(4-fluorophenyl)-3-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea?
1-(4-fluorophenyl)-3-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea has a molecular weight of 439.49 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea is sourced from PubChem (CID 118712949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).