N-[(4-cyanophenyl)methyl]-8-[[1-[(3,3-difluoroazetidin-1-yl)sulfonimidoyl]cyclopropyl]methoxy]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide

C25H24F2N6O4S — CID 169146957

IUPACN-[(4-cyanophenyl)methyl]-8-[[1-[(3,3-difluoroazetidin-1-yl)sulfonimidoyl]cyclopropyl]methoxy]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide
SMILES[H]N=S(=O)(N1CC(F)(F)C1)C1(COc2nccc3cc(C(=O)NCc4ccc(C#N)cc4)c(=O)n(C)c23)CC1
InChIInChI=1S/C25H24F2N6O4S/c1-32-20-18(10-19(23(32)35)21(34)31-12-17-4-2-16(11-28)3-5-17)6-9-30-22(20)37-15-24(7-8-24)38(29,36)33-13-25(26,27)14-33/h2-6,9-10,29H,7-8,12-15H2,1H3,(H,31,34)
InChIKeyLHFXHGWSLBNWGY-UHFFFAOYSA-N
MW542.57 g/mol
LogP2.56
Rot. Bonds8

About N-[(4-cyanophenyl)methyl]-8-[[1-[(3,3-difluoroazetidin-1-yl)sulfonimidoyl]cyclopropyl]methoxy]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide

N-[(4-cyanophenyl)methyl]-8-[[1-[(3,3-difluoroazetidin-1-yl)sulfonimidoyl]cyclopropyl]methoxy]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide (PubChem CID 169146957) has the molecular formula C25H24F2N6O4S and a molecular weight of 542.57 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-8-[[1-[(3,3-difluoroazetidin-1-yl)sulfonimidoyl]cyclopropyl]methoxy]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-8-[[1-[(3,3-difluoroazetidin-1-yl)sulfonimidoyl]cyclopropyl]methoxy]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide
PubChem CID169146957
Molecular FormulaC25H24F2N6O4S
Molecular Weight542.57 g/mol
Exact Mass542.15
IUPAC NameN-[(4-cyanophenyl)methyl]-8-[[1-[(3,3-difluoroazetidin-1-yl)sulfonimidoyl]cyclopropyl]methoxy]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide
SMILES[H]N=S(=O)(N1CC(F)(F)C1)C1(COc2nccc3cc(C(=O)NCc4ccc(C#N)cc4)c(=O)n(C)c23)CC1
InChIInChI=1S/C25H24F2N6O4S/c1-32-20-18(10-19(23(32)35)21(34)31-12-17-4-2-16(11-28)3-5-17)6-9-30-22(20)37-15-24(7-8-24)38(29,36)33-13-25(26,27)14-33/h2-6,9-10,29H,7-8,12-15H2,1H3,(H,31,34)
InChIKeyLHFXHGWSLBNWGY-UHFFFAOYSA-N
XLogP2.56
TPSA141.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.57
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(4-cyanophenyl)methyl]-8-[[1-[(3,3-difluoroazetidin-1-yl)sulfonimidoyl]cyclopropyl]methoxy]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide 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 N-[(4-cyanophenyl)methyl]-8-[[1-[(3,3-difluoroazetidin-1-yl)sulfonimidoyl]cyclopropyl]methoxy]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-8-[[1-[(3,3-difluoroazetidin-1-yl)sulfonimidoyl]cyclopropyl]methoxy]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide (CID 169146957) is N-[(4-cyanophenyl)methyl]-8-[[1-[(3,3-difluoroazetidin-1-yl)sulfonimidoyl]cyclopropyl]methoxy]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-8-[[1-[(3,3-difluoroazetidin-1-yl)sulfonimidoyl]cyclopropyl]methoxy]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-8-[[1-[(3,3-difluoroazetidin-1-yl)sulfonimidoyl]cyclopropyl]methoxy]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide is [H]N=S(=O)(N1CC(F)(F)C1)C1(COc2nccc3cc(C(=O)NCc4ccc(C#N)cc4)c(=O)n(C)c23)CC1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-8-[[1-[(3,3-difluoroazetidin-1-yl)sulfonimidoyl]cyclopropyl]methoxy]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide?
The InChIKey is LHFXHGWSLBNWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N6O4S/c1-32-20-18(10-19(23(32)35)21(34)31-12-17-4-2-16(11-28)3-5-17)6-9-30-22(20)37-15-24(7-8-24)38(29,36)33-13-25(26,27)14-33/h2-6,9-10,29H,7-8,12-15H2,1H3,(H,31,34).
What are the key properties of N-[(4-cyanophenyl)methyl]-8-[[1-[(3,3-difluoroazetidin-1-yl)sulfonimidoyl]cyclopropyl]methoxy]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide?
N-[(4-cyanophenyl)methyl]-8-[[1-[(3,3-difluoroazetidin-1-yl)sulfonimidoyl]cyclopropyl]methoxy]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide has a molecular weight of 542.57 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-8-[[1-[(3,3-difluoroazetidin-1-yl)sulfonimidoyl]cyclopropyl]methoxy]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide is sourced from PubChem (CID 169146957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).