5-[[3-(ethoxymethyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]pyrrolidin-1-yl]methyl]-3-methyl-1,3-dihydroindol-2-one

C27H31F3N4O3 — CID 141240228

IUPAC5-[[3-(ethoxymethyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]pyrrolidin-1-yl]methyl]-3-methyl-1,3-dihydroindol-2-one
SMILESCCOCC1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CCN(Cc2ccc3c(c2)C(C)C(=O)N3)C1
InChIInChI=1S/C27H31F3N4O3/c1-3-37-16-26(25(36)34-8-6-22-19(14-34)11-20(12-31-22)27(28,29)30)7-9-33(15-26)13-18-4-5-23-21(10-18)17(2)24(35)32-23/h4-5,10-12,17H,3,6-9,13-16H2,1-2H3,(H,32,35)
InChIKeyYLFCQOMOFTXQNU-UHFFFAOYSA-N
MW516.56 g/mol
LogP3.97
Rot. Bonds6

About 5-[[3-(ethoxymethyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]pyrrolidin-1-yl]methyl]-3-methyl-1,3-dihydroindol-2-one

5-[[3-(ethoxymethyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]pyrrolidin-1-yl]methyl]-3-methyl-1,3-dihydroindol-2-one (PubChem CID 141240228) has the molecular formula C27H31F3N4O3 and a molecular weight of 516.56 g/mol. Its IUPAC name is 5-[[3-(ethoxymethyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]pyrrolidin-1-yl]methyl]-3-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[[3-(ethoxymethyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]pyrrolidin-1-yl]methyl]-3-methyl-1,3-dihydroindol-2-one
PubChem CID141240228
Molecular FormulaC27H31F3N4O3
Molecular Weight516.56 g/mol
Exact Mass516.23
IUPAC Name5-[[3-(ethoxymethyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]pyrrolidin-1-yl]methyl]-3-methyl-1,3-dihydroindol-2-one
SMILESCCOCC1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CCN(Cc2ccc3c(c2)C(C)C(=O)N3)C1
InChIInChI=1S/C27H31F3N4O3/c1-3-37-16-26(25(36)34-8-6-22-19(14-34)11-20(12-31-22)27(28,29)30)7-9-33(15-26)13-18-4-5-23-21(10-18)17(2)24(35)32-23/h4-5,10-12,17H,3,6-9,13-16H2,1-2H3,(H,32,35)
InChIKeyYLFCQOMOFTXQNU-UHFFFAOYSA-N
XLogP3.97
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.56
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[3-(ethoxymethyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]pyrrolidin-1-yl]methyl]-3-methyl-1,3-dihydroindol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(ethoxymethyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]pyrrolidin-1-yl]methyl]-3-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-[[3-(ethoxymethyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]pyrrolidin-1-yl]methyl]-3-methyl-1,3-dihydroindol-2-one (CID 141240228) is 5-[[3-(ethoxymethyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]pyrrolidin-1-yl]methyl]-3-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[[3-(ethoxymethyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]pyrrolidin-1-yl]methyl]-3-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[[3-(ethoxymethyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]pyrrolidin-1-yl]methyl]-3-methyl-1,3-dihydroindol-2-one is CCOCC1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CCN(Cc2ccc3c(c2)C(C)C(=O)N3)C1.
What is the InChIKey of 5-[[3-(ethoxymethyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]pyrrolidin-1-yl]methyl]-3-methyl-1,3-dihydroindol-2-one?
The InChIKey is YLFCQOMOFTXQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F3N4O3/c1-3-37-16-26(25(36)34-8-6-22-19(14-34)11-20(12-31-22)27(28,29)30)7-9-33(15-26)13-18-4-5-23-21(10-18)17(2)24(35)32-23/h4-5,10-12,17H,3,6-9,13-16H2,1-2H3,(H,32,35).
What are the key properties of 5-[[3-(ethoxymethyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]pyrrolidin-1-yl]methyl]-3-methyl-1,3-dihydroindol-2-one?
5-[[3-(ethoxymethyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]pyrrolidin-1-yl]methyl]-3-methyl-1,3-dihydroindol-2-one has a molecular weight of 516.56 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(ethoxymethyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]pyrrolidin-1-yl]methyl]-3-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 141240228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).