2-[3-(1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-1-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]ethanone

C23H23F3N4OS — CID 148832020

IUPAC2-[3-(1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-1-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]ethanone
SMILESO=C(Cc1cc2cc(-c3cncs3)cnc2cn1)C1CCN(CC2(C(F)(F)F)CC2)CC1
InChIInChI=1S/C23H23F3N4OS/c24-23(25,26)22(3-4-22)13-30-5-1-15(2-6-30)20(31)9-18-8-16-7-17(21-12-27-14-32-21)10-29-19(16)11-28-18/h7-8,10-12,14-15H,1-6,9,13H2
InChIKeyOTWCDPGWSWLXTO-UHFFFAOYSA-N
MW460.53 g/mol
LogP4.92
Rot. Bonds6

About 2-[3-(1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-1-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]ethanone

2-[3-(1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-1-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]ethanone (PubChem CID 148832020) has the molecular formula C23H23F3N4OS and a molecular weight of 460.53 g/mol. Its IUPAC name is 2-[3-(1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-1-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]ethanone.

Molecular Properties

Compound Name2-[3-(1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-1-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]ethanone
PubChem CID148832020
Molecular FormulaC23H23F3N4OS
Molecular Weight460.53 g/mol
Exact Mass460.15
IUPAC Name2-[3-(1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-1-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]ethanone
SMILESO=C(Cc1cc2cc(-c3cncs3)cnc2cn1)C1CCN(CC2(C(F)(F)F)CC2)CC1
InChIInChI=1S/C23H23F3N4OS/c24-23(25,26)22(3-4-22)13-30-5-1-15(2-6-30)20(31)9-18-8-16-7-17(21-12-27-14-32-21)10-29-19(16)11-28-18/h7-8,10-12,14-15H,1-6,9,13H2
InChIKeyOTWCDPGWSWLXTO-UHFFFAOYSA-N
XLogP4.92
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3-(1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-1-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]ethanone 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 2-[3-(1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-1-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]ethanone?
The IUPAC name of 2-[3-(1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-1-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]ethanone (CID 148832020) is 2-[3-(1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-1-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]ethanone.
What is the SMILES notation for 2-[3-(1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-1-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]ethanone?
The canonical SMILES for 2-[3-(1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-1-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]ethanone is O=C(Cc1cc2cc(-c3cncs3)cnc2cn1)C1CCN(CC2(C(F)(F)F)CC2)CC1.
What is the InChIKey of 2-[3-(1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-1-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]ethanone?
The InChIKey is OTWCDPGWSWLXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4OS/c24-23(25,26)22(3-4-22)13-30-5-1-15(2-6-30)20(31)9-18-8-16-7-17(21-12-27-14-32-21)10-29-19(16)11-28-18/h7-8,10-12,14-15H,1-6,9,13H2.
What are the key properties of 2-[3-(1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-1-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]ethanone?
2-[3-(1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-1-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]ethanone has a molecular weight of 460.53 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-1-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]ethanone is sourced from PubChem (CID 148832020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).