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

C24H32F3N3O2 — CID 11744538

IUPAC[(1S,3R)-1-cyclobutyl-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(C2CCC2)CC[C@@H](NC2CCOCC2)C1
InChIInChI=1S/C24H32F3N3O2/c25-24(26,27)18-12-16-15-30(9-5-21(16)28-14-18)22(31)23(17-2-1-3-17)8-4-20(13-23)29-19-6-10-32-11-7-19/h12,14,17,19-20,29H,1-11,13,15H2/t20-,23+/m1/s1
InChIKeyGHIGBJUOFMWYEU-OFNKIYASSA-N
MW451.53 g/mol
LogP4.09
Rot. Bonds4

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

[(1S,3R)-1-cyclobutyl-3-(oxan-4-ylamino)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (PubChem CID 11744538) has the molecular formula C24H32F3N3O2 and a molecular weight of 451.53 g/mol. Its IUPAC name is [(1S,3R)-1-cyclobutyl-3-(oxan-4-ylamino)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.

Molecular Properties

Compound Name[(1S,3R)-1-cyclobutyl-3-(oxan-4-ylamino)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
PubChem CID11744538
Molecular FormulaC24H32F3N3O2
Molecular Weight451.53 g/mol
Exact Mass451.24
IUPAC Name[(1S,3R)-1-cyclobutyl-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(C2CCC2)CC[C@@H](NC2CCOCC2)C1
InChIInChI=1S/C24H32F3N3O2/c25-24(26,27)18-12-16-15-30(9-5-21(16)28-14-18)22(31)23(17-2-1-3-17)8-4-20(13-23)29-19-6-10-32-11-7-19/h12,14,17,19-20,29H,1-11,13,15H2/t20-,23+/m1/s1
InChIKeyGHIGBJUOFMWYEU-OFNKIYASSA-N
XLogP4.09
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-1-cyclobutyl-3-(oxan-4-ylamino)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The IUPAC name of [(1S,3R)-1-cyclobutyl-3-(oxan-4-ylamino)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (CID 11744538) is [(1S,3R)-1-cyclobutyl-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-cyclobutyl-3-(oxan-4-ylamino)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The canonical SMILES for [(1S,3R)-1-cyclobutyl-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(C2CCC2)CC[C@@H](NC2CCOCC2)C1.
What is the InChIKey of [(1S,3R)-1-cyclobutyl-3-(oxan-4-ylamino)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The InChIKey is GHIGBJUOFMWYEU-OFNKIYASSA-N. The full InChI is InChI=1S/C24H32F3N3O2/c25-24(26,27)18-12-16-15-30(9-5-21(16)28-14-18)22(31)23(17-2-1-3-17)8-4-20(13-23)29-19-6-10-32-11-7-19/h12,14,17,19-20,29H,1-11,13,15H2/t20-,23+/m1/s1.
What are the key properties of [(1S,3R)-1-cyclobutyl-3-(oxan-4-ylamino)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
[(1S,3R)-1-cyclobutyl-3-(oxan-4-ylamino)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone has a molecular weight of 451.53 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-1-cyclobutyl-3-(oxan-4-ylamino)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is sourced from PubChem (CID 11744538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).