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

C23H23F3N4OS — CID 159784570

IUPAC2-[2-(1,3-thiazol-5-yl)-1,6-naphthyridin-7-yl]-1-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]ethanone
SMILESO=C(Cc1cc2nc(-c3cncs3)ccc2cn1)C1CCN(CC2(C(F)(F)F)CC2)CC1
InChIInChI=1S/C23H23F3N4OS/c24-23(25,26)22(5-6-22)13-30-7-3-15(4-8-30)20(31)10-17-9-19-16(11-28-17)1-2-18(29-19)21-12-27-14-32-21/h1-2,9,11-12,14-15H,3-8,10,13H2
InChIKeyNHUDVTYNRVWIOQ-UHFFFAOYSA-N
MW460.53 g/mol
LogP4.92
Rot. Bonds6

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

2-[2-(1,3-thiazol-5-yl)-1,6-naphthyridin-7-yl]-1-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]ethanone (PubChem CID 159784570) has the molecular formula C23H23F3N4OS and a molecular weight of 460.53 g/mol. Its IUPAC name is 2-[2-(1,3-thiazol-5-yl)-1,6-naphthyridin-7-yl]-1-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]ethanone.

Molecular Properties

Compound Name2-[2-(1,3-thiazol-5-yl)-1,6-naphthyridin-7-yl]-1-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]ethanone
PubChem CID159784570
Molecular FormulaC23H23F3N4OS
Molecular Weight460.53 g/mol
Exact Mass460.15
IUPAC Name2-[2-(1,3-thiazol-5-yl)-1,6-naphthyridin-7-yl]-1-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]ethanone
SMILESO=C(Cc1cc2nc(-c3cncs3)ccc2cn1)C1CCN(CC2(C(F)(F)F)CC2)CC1
InChIInChI=1S/C23H23F3N4OS/c24-23(25,26)22(5-6-22)13-30-7-3-15(4-8-30)20(31)10-17-9-19-16(11-28-17)1-2-18(29-19)21-12-27-14-32-21/h1-2,9,11-12,14-15H,3-8,10,13H2
InChIKeyNHUDVTYNRVWIOQ-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

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Related Compounds

2-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]ethanone
CID 161359265
1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone
CID 158814116
1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]ethanone
CID 162225064
1-[1-(2-fluoroethyl)piperidin-4-yl]-2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]ethanone
CID 159054855
1-[2-(1-methylpiperidin-4-yl)sulfanyl-4-pyridinyl]-2-[2-(1,3-thiazol-5-yl)-1,6-naphthyridin-7-yl]ethanone
CID 159348994
1-(3,3-difluorocyclobutyl)-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone
CID 153200393
1-[1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone
CID 159972288
1-[4-(dimethylamino)cyclohexyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone
CID 158831170
1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone
CID 160826178
1-(4-aminocyclohexyl)-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone
CID 157443965
N-[7-(1-methyl-3-methylidene-2H-triazol-3-ium-4-yl)quinazolin-2-yl]-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine-4-carboximidate
CID 162573210
1-[(2R)-oxolan-2-yl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone
CID 161456067

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-thiazol-5-yl)-1,6-naphthyridin-7-yl]-1-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]ethanone?
The IUPAC name of 2-[2-(1,3-thiazol-5-yl)-1,6-naphthyridin-7-yl]-1-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]ethanone (CID 159784570) is 2-[2-(1,3-thiazol-5-yl)-1,6-naphthyridin-7-yl]-1-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]ethanone.
What is the SMILES notation for 2-[2-(1,3-thiazol-5-yl)-1,6-naphthyridin-7-yl]-1-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]ethanone?
The canonical SMILES for 2-[2-(1,3-thiazol-5-yl)-1,6-naphthyridin-7-yl]-1-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]ethanone is O=C(Cc1cc2nc(-c3cncs3)ccc2cn1)C1CCN(CC2(C(F)(F)F)CC2)CC1.
What is the InChIKey of 2-[2-(1,3-thiazol-5-yl)-1,6-naphthyridin-7-yl]-1-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]ethanone?
The InChIKey is NHUDVTYNRVWIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4OS/c24-23(25,26)22(5-6-22)13-30-7-3-15(4-8-30)20(31)10-17-9-19-16(11-28-17)1-2-18(29-19)21-12-27-14-32-21/h1-2,9,11-12,14-15H,3-8,10,13H2.
What are the key properties of 2-[2-(1,3-thiazol-5-yl)-1,6-naphthyridin-7-yl]-1-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]ethanone?
2-[2-(1,3-thiazol-5-yl)-1,6-naphthyridin-7-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-[2-(1,3-thiazol-5-yl)-1,6-naphthyridin-7-yl]-1-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]ethanone is sourced from PubChem (CID 159784570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).