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

C26H34F3N3O3 — CID 123980381

IUPAC[8-(4-methoxycyclohexyl)-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
SMILESCOC1CCC(N2CCC3(CC2)OCC(C)=C3C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CC1
InChIInChI=1S/C26H34F3N3O3/c1-17-16-35-25(8-11-31(12-9-25)20-3-5-21(34-2)6-4-20)23(17)24(33)32-10-7-22-18(15-32)13-19(14-30-22)26(27,28)29/h13-14,20-21H,3-12,15-16H2,1-2H3
InChIKeyUCMXMLILILNDGS-UHFFFAOYSA-N
MW493.57 g/mol
LogP4.12
Rot. Bonds3

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

[8-(4-methoxycyclohexyl)-3-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 123980381) has the molecular formula C26H34F3N3O3 and a molecular weight of 493.57 g/mol. Its IUPAC name is [8-(4-methoxycyclohexyl)-3-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[8-(4-methoxycyclohexyl)-3-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 CID123980381
Molecular FormulaC26H34F3N3O3
Molecular Weight493.57 g/mol
Exact Mass493.26
IUPAC Name[8-(4-methoxycyclohexyl)-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
SMILESCOC1CCC(N2CCC3(CC2)OCC(C)=C3C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CC1
InChIInChI=1S/C26H34F3N3O3/c1-17-16-35-25(8-11-31(12-9-25)20-3-5-21(34-2)6-4-20)23(17)24(33)32-10-7-22-18(15-32)13-19(14-30-22)26(27,28)29/h13-14,20-21H,3-12,15-16H2,1-2H3
InChIKeyUCMXMLILILNDGS-UHFFFAOYSA-N
XLogP4.12
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.57
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [8-(4-methoxycyclohexyl)-3-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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Related Compounds

8-(4-methoxycyclohexyl)-3-methyl-4-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-1-oxa-8-azaspiro[4.5]decan-2-one
CID 70812666
8-[(3S,4S)-3-methoxyoxan-4-yl]-3-methyl-4-[1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethenyl]-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
CID 88992222
[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
3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid
CID 174750188
1-[(3S)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-one
CID 130413543
8-[1-(4-fluorophenyl)-2-methoxyethyl]-3-methyl-4-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
CID 70812486
CID 59700291
CID 59700291
(1-propan-2-ylcyclopentyl)-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
CID 70960555
methyl 4-methyl-3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate
CID 59703246
[(2R,3aR,6aR)-2-(2,5-dimethylpyrrol-1-yl)-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
CID 71225770
[3-(4-phenylpiperidin-1-yl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
CID 130413518
ethyl 1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-3-carboxylate
CID 24986028

Frequently Asked Questions

What is the IUPAC name of [8-(4-methoxycyclohexyl)-3-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 [8-(4-methoxycyclohexyl)-3-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 123980381) is [8-(4-methoxycyclohexyl)-3-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 [8-(4-methoxycyclohexyl)-3-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 [8-(4-methoxycyclohexyl)-3-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 COC1CCC(N2CCC3(CC2)OCC(C)=C3C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CC1.
What is the InChIKey of [8-(4-methoxycyclohexyl)-3-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 UCMXMLILILNDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34F3N3O3/c1-17-16-35-25(8-11-31(12-9-25)20-3-5-21(34-2)6-4-20)23(17)24(33)32-10-7-22-18(15-32)13-19(14-30-22)26(27,28)29/h13-14,20-21H,3-12,15-16H2,1-2H3.
What are the key properties of [8-(4-methoxycyclohexyl)-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
[8-(4-methoxycyclohexyl)-3-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 493.57 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(4-methoxycyclohexyl)-3-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 123980381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).