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

C23H25ClFN5O2 — CID 118713207

IUPAC1-[(4-chlorophenyl)methyl]-3-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea
SMILESO=C(NCc1ccc(Cl)cc1)NC1CCN(CCn2c(=O)ccc3ncc(F)cc32)CC1
InChIInChI=1S/C23H25ClFN5O2/c24-17-3-1-16(2-4-17)14-27-23(32)28-19-7-9-29(10-8-19)11-12-30-21-13-18(25)15-26-20(21)5-6-22(30)31/h1-6,13,15,19H,7-12,14H2,(H2,27,28,32)
InChIKeyIOLOSWRYBXFNEA-UHFFFAOYSA-N
MW457.94 g/mol
LogP3.15
Rot. Bonds6

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

1-[(4-chlorophenyl)methyl]-3-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea (PubChem CID 118713207) has the molecular formula C23H25ClFN5O2 and a molecular weight of 457.94 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea
PubChem CID118713207
Molecular FormulaC23H25ClFN5O2
Molecular Weight457.94 g/mol
Exact Mass457.17
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea
SMILESO=C(NCc1ccc(Cl)cc1)NC1CCN(CCn2c(=O)ccc3ncc(F)cc32)CC1
InChIInChI=1S/C23H25ClFN5O2/c24-17-3-1-16(2-4-17)14-27-23(32)28-19-7-9-29(10-8-19)11-12-30-21-13-18(25)15-26-20(21)5-6-22(30)31/h1-6,13,15,19H,7-12,14H2,(H2,27,28,32)
InChIKeyIOLOSWRYBXFNEA-UHFFFAOYSA-N
XLogP3.15
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.94
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(4-chlorophenyl)methyl]-3-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]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-[(4-chlorophenyl)methyl]-3-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea (CID 118713207) is 1-[(4-chlorophenyl)methyl]-3-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea is O=C(NCc1ccc(Cl)cc1)NC1CCN(CCn2c(=O)ccc3ncc(F)cc32)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea?
The InChIKey is IOLOSWRYBXFNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClFN5O2/c24-17-3-1-16(2-4-17)14-27-23(32)28-19-7-9-29(10-8-19)11-12-30-21-13-18(25)15-26-20(21)5-6-22(30)31/h1-6,13,15,19H,7-12,14H2,(H2,27,28,32).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea?
1-[(4-chlorophenyl)methyl]-3-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea has a molecular weight of 457.94 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea is sourced from PubChem (CID 118713207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).