[(1S,3R)-1-cyclopentyl-3-(oxan-4-ylamino)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone

C25H34F3N3O2 — CID 10027497

IUPAC[(1S,3R)-1-cyclopentyl-3-(oxan-4-ylamino)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
SMILESO=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]1(C2CCCC2)CC[C@@H](NC2CCOCC2)C1
InChIInChI=1S/C25H34F3N3O2/c26-25(27,28)19-13-17-16-31(10-6-22(17)29-15-19)23(32)24(18-3-1-2-4-18)9-5-21(14-24)30-20-7-11-33-12-8-20/h13,15,18,20-21,30H,1-12,14,16H2/t21-,24+/m1/s1
InChIKeyKBRAYTNWYIUGMB-QPPBQGQZSA-N
MW465.56 g/mol
LogP4.48
Rot. Bonds4

About [(1S,3R)-1-cyclopentyl-3-(oxan-4-ylamino)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone

[(1S,3R)-1-cyclopentyl-3-(oxan-4-ylamino)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (PubChem CID 10027497) has the molecular formula C25H34F3N3O2 and a molecular weight of 465.56 g/mol. Its IUPAC name is [(1S,3R)-1-cyclopentyl-3-(oxan-4-ylamino)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.

Molecular Properties

Compound Name[(1S,3R)-1-cyclopentyl-3-(oxan-4-ylamino)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
PubChem CID10027497
Molecular FormulaC25H34F3N3O2
Molecular Weight465.56 g/mol
Exact Mass465.26
IUPAC Name[(1S,3R)-1-cyclopentyl-3-(oxan-4-ylamino)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
SMILESO=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]1(C2CCCC2)CC[C@@H](NC2CCOCC2)C1
InChIInChI=1S/C25H34F3N3O2/c26-25(27,28)19-13-17-16-31(10-6-22(17)29-15-19)23(32)24(18-3-1-2-4-18)9-5-21(14-24)30-20-7-11-33-12-8-20/h13,15,18,20-21,30H,1-12,14,16H2/t21-,24+/m1/s1
InChIKeyKBRAYTNWYIUGMB-QPPBQGQZSA-N
XLogP4.48
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1S,3R)-1-cyclopentyl-3-(oxan-4-ylamino)cyclopentyl]-[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)-1-cyclopentyl-3-(oxan-4-ylamino)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The IUPAC name of [(1S,3R)-1-cyclopentyl-3-(oxan-4-ylamino)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (CID 10027497) is [(1S,3R)-1-cyclopentyl-3-(oxan-4-ylamino)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.
What is the SMILES notation for [(1S,3R)-1-cyclopentyl-3-(oxan-4-ylamino)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The canonical SMILES for [(1S,3R)-1-cyclopentyl-3-(oxan-4-ylamino)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]1(C2CCCC2)CC[C@@H](NC2CCOCC2)C1.
What is the InChIKey of [(1S,3R)-1-cyclopentyl-3-(oxan-4-ylamino)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The InChIKey is KBRAYTNWYIUGMB-QPPBQGQZSA-N. The full InChI is InChI=1S/C25H34F3N3O2/c26-25(27,28)19-13-17-16-31(10-6-22(17)29-15-19)23(32)24(18-3-1-2-4-18)9-5-21(14-24)30-20-7-11-33-12-8-20/h13,15,18,20-21,30H,1-12,14,16H2/t21-,24+/m1/s1.
What are the key properties of [(1S,3R)-1-cyclopentyl-3-(oxan-4-ylamino)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
[(1S,3R)-1-cyclopentyl-3-(oxan-4-ylamino)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone has a molecular weight of 465.56 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-1-cyclopentyl-3-(oxan-4-ylamino)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is sourced from PubChem (CID 10027497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).