3-methyl-4-[5-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-8-(oxan-4-yl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one

C25H30F3N3O4 — CID 70812637

IUPAC3-methyl-4-[5-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-8-(oxan-4-yl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
SMILESCC1=C(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2C)C2(CCN(C3CCOCC3)CC2)OC1=O
InChIInChI=1S/C25H30F3N3O4/c1-15-21(24(35-23(15)33)6-9-30(10-7-24)18-4-11-34-12-5-18)22(32)31-8-3-20-19(16(31)2)13-17(14-29-20)25(26,27)28/h13-14,16,18H,3-12H2,1-2H3
InChIKeyMSNNKXOWVHHOEY-UHFFFAOYSA-N
MW493.53 g/mol
LogP3.43
Rot. Bonds2

About 3-methyl-4-[5-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-8-(oxan-4-yl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one

3-methyl-4-[5-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-8-(oxan-4-yl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one (PubChem CID 70812637) has the molecular formula C25H30F3N3O4 and a molecular weight of 493.53 g/mol. Its IUPAC name is 3-methyl-4-[5-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-8-(oxan-4-yl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name3-methyl-4-[5-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-8-(oxan-4-yl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
PubChem CID70812637
Molecular FormulaC25H30F3N3O4
Molecular Weight493.53 g/mol
Exact Mass493.22
IUPAC Name3-methyl-4-[5-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-8-(oxan-4-yl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
SMILESCC1=C(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2C)C2(CCN(C3CCOCC3)CC2)OC1=O
InChIInChI=1S/C25H30F3N3O4/c1-15-21(24(35-23(15)33)6-9-30(10-7-24)18-4-11-34-12-5-18)22(32)31-8-3-20-19(16(31)2)13-17(14-29-20)25(26,27)28/h13-14,16,18H,3-12H2,1-2H3
InChIKeyMSNNKXOWVHHOEY-UHFFFAOYSA-N
XLogP3.43
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.53
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-methyl-4-[5-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-8-(oxan-4-yl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[5-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-8-(oxan-4-yl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 3-methyl-4-[5-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-8-(oxan-4-yl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one (CID 70812637) is 3-methyl-4-[5-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-8-(oxan-4-yl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 3-methyl-4-[5-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-8-(oxan-4-yl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 3-methyl-4-[5-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-8-(oxan-4-yl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one is CC1=C(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2C)C2(CCN(C3CCOCC3)CC2)OC1=O.
What is the InChIKey of 3-methyl-4-[5-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-8-(oxan-4-yl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one?
The InChIKey is MSNNKXOWVHHOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F3N3O4/c1-15-21(24(35-23(15)33)6-9-30(10-7-24)18-4-11-34-12-5-18)22(32)31-8-3-20-19(16(31)2)13-17(14-29-20)25(26,27)28/h13-14,16,18H,3-12H2,1-2H3.
What are the key properties of 3-methyl-4-[5-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-8-(oxan-4-yl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one?
3-methyl-4-[5-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-8-(oxan-4-yl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one has a molecular weight of 493.53 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[5-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-8-(oxan-4-yl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 70812637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).