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

C25H36F3N3O2 — CID 10322347

IUPAC[(1S,3R)-3-[ethyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
SMILESCCN(C1CCOCC1)[C@@H]1CC[C@@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1
InChIInChI=1S/C25H36F3N3O2/c1-4-31(20-7-11-33-12-8-20)21-5-9-24(14-21,17(2)3)23(32)30-10-6-22-18(16-30)13-19(15-29-22)25(26,27)28/h13,15,17,20-21H,4-12,14,16H2,1-3H3/t21-,24+/m1/s1
InChIKeyNYBFAAZZFHOQBP-QPPBQGQZSA-N
MW467.58 g/mol
LogP4.68
Rot. Bonds5

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

[(1S,3R)-3-[ethyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (PubChem CID 10322347) has the molecular formula C25H36F3N3O2 and a molecular weight of 467.58 g/mol. Its IUPAC name is [(1S,3R)-3-[ethyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.

Molecular Properties

Compound Name[(1S,3R)-3-[ethyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
PubChem CID10322347
Molecular FormulaC25H36F3N3O2
Molecular Weight467.58 g/mol
Exact Mass467.28
IUPAC Name[(1S,3R)-3-[ethyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
SMILESCCN(C1CCOCC1)[C@@H]1CC[C@@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1
InChIInChI=1S/C25H36F3N3O2/c1-4-31(20-7-11-33-12-8-20)21-5-9-24(14-21,17(2)3)23(32)30-10-6-22-18(16-30)13-19(15-29-22)25(26,27)28/h13,15,17,20-21H,4-12,14,16H2,1-3H3/t21-,24+/m1/s1
InChIKeyNYBFAAZZFHOQBP-QPPBQGQZSA-N
XLogP4.68
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.58
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(1S,3R)-3-[ethyl(oxan-4-yl)amino]-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-[ethyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The IUPAC name of [(1S,3R)-3-[ethyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (CID 10322347) is [(1S,3R)-3-[ethyl(oxan-4-yl)amino]-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-[ethyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The canonical SMILES for [(1S,3R)-3-[ethyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is CCN(C1CCOCC1)[C@@H]1CC[C@@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1.
What is the InChIKey of [(1S,3R)-3-[ethyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The InChIKey is NYBFAAZZFHOQBP-QPPBQGQZSA-N. The full InChI is InChI=1S/C25H36F3N3O2/c1-4-31(20-7-11-33-12-8-20)21-5-9-24(14-21,17(2)3)23(32)30-10-6-22-18(16-30)13-19(15-29-22)25(26,27)28/h13,15,17,20-21H,4-12,14,16H2,1-3H3/t21-,24+/m1/s1.
What are the key properties of [(1S,3R)-3-[ethyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
[(1S,3R)-3-[ethyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone has a molecular weight of 467.58 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-[ethyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is sourced from PubChem (CID 10322347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).