3-(difluoromethylsulfanyl)-N-[[2-[6-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide

C28H25F2N5O2S — CID 176665242

IUPAC3-(difluoromethylsulfanyl)-N-[[2-[6-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide
SMILESO=C(NCc1cc2nc(-c3cccc(N4CC5(CC(O)C5)C4)n3)ccc2cn1)c1cccc(SC(F)F)c1
InChIInChI=1S/C28H25F2N5O2S/c29-27(30)38-21-4-1-3-17(9-21)26(37)32-14-19-10-24-18(13-31-19)7-8-23(33-24)22-5-2-6-25(34-22)35-15-28(16-35)11-20(36)12-28/h1-10,13,20,27,36H,11-12,14-16H2,(H,32,37)
InChIKeyXWDOLPKZGNQOLC-UHFFFAOYSA-N
MW533.60 g/mol
LogP4.90
Rot. Bonds7

About 3-(difluoromethylsulfanyl)-N-[[2-[6-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide

3-(difluoromethylsulfanyl)-N-[[2-[6-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide (PubChem CID 176665242) has the molecular formula C28H25F2N5O2S and a molecular weight of 533.60 g/mol. Its IUPAC name is 3-(difluoromethylsulfanyl)-N-[[2-[6-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide.

Molecular Properties

Compound Name3-(difluoromethylsulfanyl)-N-[[2-[6-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide
PubChem CID176665242
Molecular FormulaC28H25F2N5O2S
Molecular Weight533.60 g/mol
Exact Mass533.17
IUPAC Name3-(difluoromethylsulfanyl)-N-[[2-[6-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide
SMILESO=C(NCc1cc2nc(-c3cccc(N4CC5(CC(O)C5)C4)n3)ccc2cn1)c1cccc(SC(F)F)c1
InChIInChI=1S/C28H25F2N5O2S/c29-27(30)38-21-4-1-3-17(9-21)26(37)32-14-19-10-24-18(13-31-19)7-8-23(33-24)22-5-2-6-25(34-22)35-15-28(16-35)11-20(36)12-28/h1-10,13,20,27,36H,11-12,14-16H2,(H,32,37)
InChIKeyXWDOLPKZGNQOLC-UHFFFAOYSA-N
XLogP4.90
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.60
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(difluoromethylsulfanyl)-N-[[2-[6-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-3-methylsulfanylbenzamide
CID 176665353
3-(difluoromethylsulfanyl)-N-[[2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-3-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide
CID 176665912
3-chloro-N-[[2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide
CID 176665711
3-(difluoromethoxy)-N-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylbenzamide
CID 176665979
3-cyano-N-[[2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide
CID 176665227
CID 176665731
CID 176665731
3-chloro-N-[[2-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylbenzamide
CID 176665236
N-[[2-[6-(3-hydroxy-4,4-dimethoxypiperidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylpyridine-3-carboxamide
CID 176666586
N-[[2-[6-(4,7-diazaspiro[2.5]octan-7-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfanylbenzamide
CID 176665359
3-(difluoromethylsulfonyl)-N-[[2-[6-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide;molecular hydrogen
CID 176665900
N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-6-methyl-5-methylsulfanylpyridine-3-carboxamide
CID 176666909
N-[[2-[6-[(3S,5R)-4-hydroxy-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-[(S)-methylsulfinyl]benzamide
CID 176665609

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylsulfanyl)-N-[[2-[6-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide?
The IUPAC name of 3-(difluoromethylsulfanyl)-N-[[2-[6-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide (CID 176665242) is 3-(difluoromethylsulfanyl)-N-[[2-[6-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide.
What is the SMILES notation for 3-(difluoromethylsulfanyl)-N-[[2-[6-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide?
The canonical SMILES for 3-(difluoromethylsulfanyl)-N-[[2-[6-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide is O=C(NCc1cc2nc(-c3cccc(N4CC5(CC(O)C5)C4)n3)ccc2cn1)c1cccc(SC(F)F)c1.
What is the InChIKey of 3-(difluoromethylsulfanyl)-N-[[2-[6-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide?
The InChIKey is XWDOLPKZGNQOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F2N5O2S/c29-27(30)38-21-4-1-3-17(9-21)26(37)32-14-19-10-24-18(13-31-19)7-8-23(33-24)22-5-2-6-25(34-22)35-15-28(16-35)11-20(36)12-28/h1-10,13,20,27,36H,11-12,14-16H2,(H,32,37).
What are the key properties of 3-(difluoromethylsulfanyl)-N-[[2-[6-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide?
3-(difluoromethylsulfanyl)-N-[[2-[6-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide has a molecular weight of 533.60 g/mol, XLogP of 4.90, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylsulfanyl)-N-[[2-[6-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide is sourced from PubChem (CID 176665242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).