[(1S)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-[3-(2,2,2-trifluoroethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone

C24H34F3N3O3 — CID 142976864

IUPAC[(1S)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-[3-(2,2,2-trifluoroethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
SMILESCC(C)[C@]1(C(=O)N2CCc3ncc(OCC(F)(F)F)cc3C2)CCC(NC2CCOCC2)C1
InChIInChI=1S/C24H34F3N3O3/c1-16(2)23(7-3-19(12-23)29-18-5-9-32-10-6-18)22(31)30-8-4-21-17(14-30)11-20(13-28-21)33-15-24(25,26)27/h11,13,16,18-19,29H,3-10,12,14-15H2,1-2H3/t19?,23-/m0/s1
InChIKeyLSLWIAZPWSFABR-BVHINDKJSA-N
MW469.55 g/mol
LogP3.87
Rot. Bonds6

About [(1S)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-[3-(2,2,2-trifluoroethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone

[(1S)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-[3-(2,2,2-trifluoroethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (PubChem CID 142976864) has the molecular formula C24H34F3N3O3 and a molecular weight of 469.55 g/mol. Its IUPAC name is [(1S)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-[3-(2,2,2-trifluoroethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.

Molecular Properties

Compound Name[(1S)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-[3-(2,2,2-trifluoroethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
PubChem CID142976864
Molecular FormulaC24H34F3N3O3
Molecular Weight469.55 g/mol
Exact Mass469.26
IUPAC Name[(1S)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-[3-(2,2,2-trifluoroethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
SMILESCC(C)[C@]1(C(=O)N2CCc3ncc(OCC(F)(F)F)cc3C2)CCC(NC2CCOCC2)C1
InChIInChI=1S/C24H34F3N3O3/c1-16(2)23(7-3-19(12-23)29-18-5-9-32-10-6-18)22(31)30-8-4-21-17(14-30)11-20(13-28-21)33-15-24(25,26)27/h11,13,16,18-19,29H,3-10,12,14-15H2,1-2H3/t19?,23-/m0/s1
InChIKeyLSLWIAZPWSFABR-BVHINDKJSA-N
XLogP3.87
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(1S)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-[3-(2,2,2-trifluoroethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone with MolForge

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Related Compounds

[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
CID 10253496
[(1R,3R)-1-[(S)-hydroxy(iodo)methyl]-3-(oxan-4-ylamino)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
CID 162549422
[(1S,3R)-3-[(3-hydroxy-3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
CID 11554574
[(1R,3S)-3-[[(3R,4S)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
CID 118618886
[3-(3-oxabicyclo[3.2.1]octan-8-ylamino)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
CID 23533506
[(1S,3R)-3-(3-oxabicyclo[3.3.1]nonan-9-ylamino)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
CID 10480261
butanedioic acid;[(1R,3S)-3-[[(3S,4S)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
CID 154730960
[3-[(2-methylcyclohexyl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
CID 23533496
[5-hydroxy-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[(3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]methanone
CID 142976732
[5-(2-hydroxyethylsulfinyl)-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]methanone
CID 58784520
[(1S)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-[6-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;2,2,2-trifluoro-1-[6-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 158279913
[(1S,3R)-1-cyclobutyl-3-(oxan-4-ylamino)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
CID 11744538

Frequently Asked Questions

What is the IUPAC name of [(1S)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-[3-(2,2,2-trifluoroethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The IUPAC name of [(1S)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-[3-(2,2,2-trifluoroethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (CID 142976864) is [(1S)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-[3-(2,2,2-trifluoroethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.
What is the SMILES notation for [(1S)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-[3-(2,2,2-trifluoroethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The canonical SMILES for [(1S)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-[3-(2,2,2-trifluoroethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is CC(C)[C@]1(C(=O)N2CCc3ncc(OCC(F)(F)F)cc3C2)CCC(NC2CCOCC2)C1.
What is the InChIKey of [(1S)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-[3-(2,2,2-trifluoroethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The InChIKey is LSLWIAZPWSFABR-BVHINDKJSA-N. The full InChI is InChI=1S/C24H34F3N3O3/c1-16(2)23(7-3-19(12-23)29-18-5-9-32-10-6-18)22(31)30-8-4-21-17(14-30)11-20(13-28-21)33-15-24(25,26)27/h11,13,16,18-19,29H,3-10,12,14-15H2,1-2H3/t19?,23-/m0/s1.
What are the key properties of [(1S)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-[3-(2,2,2-trifluoroethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
[(1S)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-[3-(2,2,2-trifluoroethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone has a molecular weight of 469.55 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-[3-(2,2,2-trifluoroethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is sourced from PubChem (CID 142976864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).