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

C26H34F3N3O4 — CID 70812666

IUPAC8-(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
SMILESCOC1CCC(N2CCC3(CC2)OC(=O)C(C)C3C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CC1
InChIInChI=1S/C26H34F3N3O4/c1-16-22(23(33)32-10-7-21-17(15-32)13-18(14-30-21)26(27,28)29)25(36-24(16)34)8-11-31(12-9-25)19-3-5-20(35-2)6-4-19/h13-14,16,19-20,22H,3-12,15H2,1-2H3
InChIKeyJAAOBARPJGOUGD-UHFFFAOYSA-N
MW509.57 g/mol
LogP3.59
Rot. Bonds3

About 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

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 (PubChem CID 70812666) has the molecular formula C26H34F3N3O4 and a molecular weight of 509.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-(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
PubChem CID70812666
Molecular FormulaC26H34F3N3O4
Molecular Weight509.57 g/mol
Exact Mass509.25
IUPAC Name8-(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
SMILESCOC1CCC(N2CCC3(CC2)OC(=O)C(C)C3C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CC1
InChIInChI=1S/C26H34F3N3O4/c1-16-22(23(33)32-10-7-21-17(15-32)13-18(14-30-21)26(27,28)29)25(36-24(16)34)8-11-31(12-9-25)19-3-5-20(35-2)6-4-19/h13-14,16,19-20,22H,3-12,15H2,1-2H3
InChIKeyJAAOBARPJGOUGD-UHFFFAOYSA-N
XLogP3.59
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.57
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC1CCC(N2CCC3(CC2)OC(=O)C(C)C3C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CC1.
What is the InChIKey of 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?
The InChIKey is JAAOBARPJGOUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34F3N3O4/c1-16-22(23(33)32-10-7-21-17(15-32)13-18(14-30-21)26(27,28)29)25(36-24(16)34)8-11-31(12-9-25)19-3-5-20(35-2)6-4-19/h13-14,16,19-20,22H,3-12,15H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 509.57 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 70812666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).