[2-hydroxy-3-methyl-8-[[(3R)-oxolan-3-yl]methyl]-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone

C24H30F3N3O4 — CID 162590799

IUPAC[2-hydroxy-3-methyl-8-[[(3R)-oxolan-3-yl]methyl]-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
SMILESCC1=C(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C2(CCN(C[C@H]3CCOC3)CC2)OC1O
InChIInChI=1S/C24H30F3N3O4/c1-15-20(21(31)30-6-2-19-17(13-30)10-18(11-28-19)24(25,26)27)23(34-22(15)32)4-7-29(8-5-23)12-16-3-9-33-14-16/h10-11,16,22,32H,2-9,12-14H2,1H3/t16-,22?/m1/s1
InChIKeyGWFQZDHBLACYBH-XESZBRCGSA-N
MW481.52 g/mol
LogP2.52
Rot. Bonds3

About [2-hydroxy-3-methyl-8-[[(3R)-oxolan-3-yl]methyl]-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone

[2-hydroxy-3-methyl-8-[[(3R)-oxolan-3-yl]methyl]-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (PubChem CID 162590799) has the molecular formula C24H30F3N3O4 and a molecular weight of 481.52 g/mol. Its IUPAC name is [2-hydroxy-3-methyl-8-[[(3R)-oxolan-3-yl]methyl]-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.

Molecular Properties

Compound Name[2-hydroxy-3-methyl-8-[[(3R)-oxolan-3-yl]methyl]-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
PubChem CID162590799
Molecular FormulaC24H30F3N3O4
Molecular Weight481.52 g/mol
Exact Mass481.22
IUPAC Name[2-hydroxy-3-methyl-8-[[(3R)-oxolan-3-yl]methyl]-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
SMILESCC1=C(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C2(CCN(C[C@H]3CCOC3)CC2)OC1O
InChIInChI=1S/C24H30F3N3O4/c1-15-20(21(31)30-6-2-19-17(13-30)10-18(11-28-19)24(25,26)27)23(34-22(15)32)4-7-29(8-5-23)12-16-3-9-33-14-16/h10-11,16,22,32H,2-9,12-14H2,1H3/t16-,22?/m1/s1
InChIKeyGWFQZDHBLACYBH-XESZBRCGSA-N
XLogP2.52
TPSA75.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.52
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-hydroxy-3-methyl-8-[[(3R)-oxolan-3-yl]methyl]-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl]-[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 [2-hydroxy-3-methyl-8-[[(3R)-oxolan-3-yl]methyl]-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The IUPAC name of [2-hydroxy-3-methyl-8-[[(3R)-oxolan-3-yl]methyl]-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (CID 162590799) is [2-hydroxy-3-methyl-8-[[(3R)-oxolan-3-yl]methyl]-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.
What is the SMILES notation for [2-hydroxy-3-methyl-8-[[(3R)-oxolan-3-yl]methyl]-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The canonical SMILES for [2-hydroxy-3-methyl-8-[[(3R)-oxolan-3-yl]methyl]-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is CC1=C(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C2(CCN(C[C@H]3CCOC3)CC2)OC1O.
What is the InChIKey of [2-hydroxy-3-methyl-8-[[(3R)-oxolan-3-yl]methyl]-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The InChIKey is GWFQZDHBLACYBH-XESZBRCGSA-N. The full InChI is InChI=1S/C24H30F3N3O4/c1-15-20(21(31)30-6-2-19-17(13-30)10-18(11-28-19)24(25,26)27)23(34-22(15)32)4-7-29(8-5-23)12-16-3-9-33-14-16/h10-11,16,22,32H,2-9,12-14H2,1H3/t16-,22?/m1/s1.
What are the key properties of [2-hydroxy-3-methyl-8-[[(3R)-oxolan-3-yl]methyl]-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
[2-hydroxy-3-methyl-8-[[(3R)-oxolan-3-yl]methyl]-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone has a molecular weight of 481.52 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-methyl-8-[[(3R)-oxolan-3-yl]methyl]-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is sourced from PubChem (CID 162590799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).