[(1S,3R)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone

C24H34F3N3O2 — CID 24983578

IUPAC[(1S,3R)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
SMILESCC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CC[C@@H](N2C[C@@H](C)O[C@@H](C)C2)C1
InChIInChI=1S/C24H34F3N3O2/c1-15(2)23(7-5-20(10-23)30-12-16(3)32-17(4)13-30)22(31)29-8-6-21-18(14-29)9-19(11-28-21)24(25,26)27/h9,11,15-17,20H,5-8,10,12-14H2,1-4H3/t16-,17+,20-,23+/m1/s1
InChIKeyWSZXOLZQNJNRPP-UGBDLMATSA-N
MW453.55 g/mol
LogP4.29
Rot. Bonds3

About [(1S,3R)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone

[(1S,3R)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (PubChem CID 24983578) has the molecular formula C24H34F3N3O2 and a molecular weight of 453.55 g/mol. Its IUPAC name is [(1S,3R)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.

Molecular Properties

Compound Name[(1S,3R)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
PubChem CID24983578
Molecular FormulaC24H34F3N3O2
Molecular Weight453.55 g/mol
Exact Mass453.26
IUPAC Name[(1S,3R)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
SMILESCC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CC[C@@H](N2C[C@@H](C)O[C@@H](C)C2)C1
InChIInChI=1S/C24H34F3N3O2/c1-15(2)23(7-5-20(10-23)30-12-16(3)32-17(4)13-30)22(31)29-8-6-21-18(14-29)9-19(11-28-21)24(25,26)27/h9,11,15-17,20H,5-8,10,12-14H2,1-4H3/t16-,17+,20-,23+/m1/s1
InChIKeyWSZXOLZQNJNRPP-UGBDLMATSA-N
XLogP4.29
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The IUPAC name of [(1S,3R)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (CID 24983578) is [(1S,3R)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.
What is the SMILES notation for [(1S,3R)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The canonical SMILES for [(1S,3R)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is CC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CC[C@@H](N2C[C@@H](C)O[C@@H](C)C2)C1.
What is the InChIKey of [(1S,3R)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The InChIKey is WSZXOLZQNJNRPP-UGBDLMATSA-N. The full InChI is InChI=1S/C24H34F3N3O2/c1-15(2)23(7-5-20(10-23)30-12-16(3)32-17(4)13-30)22(31)29-8-6-21-18(14-29)9-19(11-28-21)24(25,26)27/h9,11,15-17,20H,5-8,10,12-14H2,1-4H3/t16-,17+,20-,23+/m1/s1.
What are the key properties of [(1S,3R)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
[(1S,3R)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone has a molecular weight of 453.55 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is sourced from PubChem (CID 24983578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).