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

C22H23F2N5O2 — CID 118712934

IUPAC1-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-fluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1)NC1CCN(CCn2c(=O)ccc3ncc(F)cc32)CC1
InChIInChI=1S/C22H23F2N5O2/c23-15-1-3-17(4-2-15)26-22(31)27-18-7-9-28(10-8-18)11-12-29-20-13-16(24)14-25-19(20)5-6-21(29)30/h1-6,13-14,18H,7-12H2,(H2,26,27,31)
InChIKeySSUUKXOPINTHDW-UHFFFAOYSA-N
MW427.46 g/mol
LogP2.96
Rot. Bonds5

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

1-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-fluorophenyl)urea (PubChem CID 118712934) has the molecular formula C22H23F2N5O2 and a molecular weight of 427.46 g/mol. Its IUPAC name is 1-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-fluorophenyl)urea
PubChem CID118712934
Molecular FormulaC22H23F2N5O2
Molecular Weight427.46 g/mol
Exact Mass427.18
IUPAC Name1-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-fluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1)NC1CCN(CCn2c(=O)ccc3ncc(F)cc32)CC1
InChIInChI=1S/C22H23F2N5O2/c23-15-1-3-17(4-2-15)26-22(31)27-18-7-9-28(10-8-18)11-12-29-20-13-16(24)14-25-19(20)5-6-21(29)30/h1-6,13-14,18H,7-12H2,(H2,26,27,31)
InChIKeySSUUKXOPINTHDW-UHFFFAOYSA-N
XLogP2.96
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-fluorophenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-fluorophenyl)urea (CID 118712934) is 1-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-fluorophenyl)urea is O=C(Nc1ccc(F)cc1)NC1CCN(CCn2c(=O)ccc3ncc(F)cc32)CC1.
What is the InChIKey of 1-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-fluorophenyl)urea?
The InChIKey is SSUUKXOPINTHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5O2/c23-15-1-3-17(4-2-15)26-22(31)27-18-7-9-28(10-8-18)11-12-29-20-13-16(24)14-25-19(20)5-6-21(29)30/h1-6,13-14,18H,7-12H2,(H2,26,27,31).
What are the key properties of 1-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-fluorophenyl)urea?
1-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-fluorophenyl)urea has a molecular weight of 427.46 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 118712934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).