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

C25H36F3N3O3 — CID 10005521

IUPAC[(1S,3R)-3-[(3-methoxyoxan-4-yl)-methylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
SMILESCOC1COCCC1N(C)[C@@H]1CC[C@@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1
InChIInChI=1S/C25H36F3N3O3/c1-16(2)24(8-5-19(12-24)30(3)21-7-10-34-15-22(21)33-4)23(32)31-9-6-20-17(14-31)11-18(13-29-20)25(26,27)28/h11,13,16,19,21-22H,5-10,12,14-15H2,1-4H3/t19-,21?,22?,24+/m1/s1
InChIKeyYTQOGWIZJGBOPV-DKCHYQOTSA-N
MW483.58 g/mol
LogP3.92
Rot. Bonds5

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

[(1S,3R)-3-[(3-methoxyoxan-4-yl)-methylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (PubChem CID 10005521) has the molecular formula C25H36F3N3O3 and a molecular weight of 483.58 g/mol. Its IUPAC name is [(1S,3R)-3-[(3-methoxyoxan-4-yl)-methylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.

Molecular Properties

Compound Name[(1S,3R)-3-[(3-methoxyoxan-4-yl)-methylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
PubChem CID10005521
Molecular FormulaC25H36F3N3O3
Molecular Weight483.58 g/mol
Exact Mass483.27
IUPAC Name[(1S,3R)-3-[(3-methoxyoxan-4-yl)-methylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
SMILESCOC1COCCC1N(C)[C@@H]1CC[C@@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1
InChIInChI=1S/C25H36F3N3O3/c1-16(2)24(8-5-19(12-24)30(3)21-7-10-34-15-22(21)33-4)23(32)31-9-6-20-17(14-31)11-18(13-29-20)25(26,27)28/h11,13,16,19,21-22H,5-10,12,14-15H2,1-4H3/t19-,21?,22?,24+/m1/s1
InChIKeyYTQOGWIZJGBOPV-DKCHYQOTSA-N
XLogP3.92
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.58
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(1S,3R)-3-[(3-methoxyoxan-4-yl)-methylamino]-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-[(3-methoxyoxan-4-yl)-methylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The IUPAC name of [(1S,3R)-3-[(3-methoxyoxan-4-yl)-methylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (CID 10005521) is [(1S,3R)-3-[(3-methoxyoxan-4-yl)-methylamino]-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-[(3-methoxyoxan-4-yl)-methylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The canonical SMILES for [(1S,3R)-3-[(3-methoxyoxan-4-yl)-methylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is COC1COCCC1N(C)[C@@H]1CC[C@@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1.
What is the InChIKey of [(1S,3R)-3-[(3-methoxyoxan-4-yl)-methylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The InChIKey is YTQOGWIZJGBOPV-DKCHYQOTSA-N. The full InChI is InChI=1S/C25H36F3N3O3/c1-16(2)24(8-5-19(12-24)30(3)21-7-10-34-15-22(21)33-4)23(32)31-9-6-20-17(14-31)11-18(13-29-20)25(26,27)28/h11,13,16,19,21-22H,5-10,12,14-15H2,1-4H3/t19-,21?,22?,24+/m1/s1.
What are the key properties of [(1S,3R)-3-[(3-methoxyoxan-4-yl)-methylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
[(1S,3R)-3-[(3-methoxyoxan-4-yl)-methylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone has a molecular weight of 483.58 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-[(3-methoxyoxan-4-yl)-methylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is sourced from PubChem (CID 10005521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).