(3R)-3-amino-4-(2,5-difluorophenyl)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]butanamide

C25H23F3N4O2 — CID 11698447

IUPAC(3R)-3-amino-4-(2,5-difluorophenyl)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]butanamide
SMILESN[C@@H](CC(=O)NC1Cc2cccnc2N(Cc2ccc(F)cc2)C1=O)Cc1cc(F)ccc1F
InChIInChI=1S/C25H23F3N4O2/c26-18-5-3-15(4-6-18)14-32-24-16(2-1-9-30-24)12-22(25(32)34)31-23(33)13-20(29)11-17-10-19(27)7-8-21(17)28/h1-10,20,22H,11-14,29H2,(H,31,33)/t20-,22?/m1/s1
InChIKeyPEZIMALRYKPMPS-PSDZMVHGSA-N
MW468.48 g/mol
LogP3.03
Rot. Bonds7

About (3R)-3-amino-4-(2,5-difluorophenyl)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]butanamide

(3R)-3-amino-4-(2,5-difluorophenyl)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]butanamide (PubChem CID 11698447) has the molecular formula C25H23F3N4O2 and a molecular weight of 468.48 g/mol. Its IUPAC name is (3R)-3-amino-4-(2,5-difluorophenyl)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]butanamide.

Molecular Properties

Compound Name(3R)-3-amino-4-(2,5-difluorophenyl)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]butanamide
PubChem CID11698447
Molecular FormulaC25H23F3N4O2
Molecular Weight468.48 g/mol
Exact Mass468.18
IUPAC Name(3R)-3-amino-4-(2,5-difluorophenyl)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]butanamide
SMILESN[C@@H](CC(=O)NC1Cc2cccnc2N(Cc2ccc(F)cc2)C1=O)Cc1cc(F)ccc1F
InChIInChI=1S/C25H23F3N4O2/c26-18-5-3-15(4-6-18)14-32-24-16(2-1-9-30-24)12-22(25(32)34)31-23(33)13-20(29)11-17-10-19(27)7-8-21(17)28/h1-10,20,22H,11-14,29H2,(H,31,33)/t20-,22?/m1/s1
InChIKeyPEZIMALRYKPMPS-PSDZMVHGSA-N
XLogP3.03
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.48
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-3-amino-4-(2,5-difluorophenyl)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]butanamide 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 (3R)-3-amino-4-(2,5-difluorophenyl)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]butanamide?
The IUPAC name of (3R)-3-amino-4-(2,5-difluorophenyl)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]butanamide (CID 11698447) is (3R)-3-amino-4-(2,5-difluorophenyl)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]butanamide.
What is the SMILES notation for (3R)-3-amino-4-(2,5-difluorophenyl)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]butanamide?
The canonical SMILES for (3R)-3-amino-4-(2,5-difluorophenyl)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]butanamide is N[C@@H](CC(=O)NC1Cc2cccnc2N(Cc2ccc(F)cc2)C1=O)Cc1cc(F)ccc1F.
What is the InChIKey of (3R)-3-amino-4-(2,5-difluorophenyl)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]butanamide?
The InChIKey is PEZIMALRYKPMPS-PSDZMVHGSA-N. The full InChI is InChI=1S/C25H23F3N4O2/c26-18-5-3-15(4-6-18)14-32-24-16(2-1-9-30-24)12-22(25(32)34)31-23(33)13-20(29)11-17-10-19(27)7-8-21(17)28/h1-10,20,22H,11-14,29H2,(H,31,33)/t20-,22?/m1/s1.
What are the key properties of (3R)-3-amino-4-(2,5-difluorophenyl)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]butanamide?
(3R)-3-amino-4-(2,5-difluorophenyl)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]butanamide has a molecular weight of 468.48 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-(2,5-difluorophenyl)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]butanamide is sourced from PubChem (CID 11698447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).