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

C27H31F3N4O3 — CID 141240209

IUPAC5-[1-[3-(methoxymethyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]pyrrolidin-1-yl]ethyl]-3-methyl-1,3-dihydroindol-2-one
SMILESCOCC1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CCN(C(C)c2ccc3c(c2)C(C)C(=O)N3)C1
InChIInChI=1S/C27H31F3N4O3/c1-16-21-11-18(4-5-23(21)32-24(16)35)17(2)34-9-7-26(14-34,15-37-3)25(36)33-8-6-22-19(13-33)10-20(12-31-22)27(28,29)30/h4-5,10-12,16-17H,6-9,13-15H2,1-3H3,(H,32,35)
InChIKeyZGKQMYISSKOYPL-UHFFFAOYSA-N
MW516.56 g/mol
LogP4.14
Rot. Bonds5

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

5-[1-[3-(methoxymethyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]pyrrolidin-1-yl]ethyl]-3-methyl-1,3-dihydroindol-2-one (PubChem CID 141240209) has the molecular formula C27H31F3N4O3 and a molecular weight of 516.56 g/mol. Its IUPAC name is 5-[1-[3-(methoxymethyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]pyrrolidin-1-yl]ethyl]-3-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[1-[3-(methoxymethyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]pyrrolidin-1-yl]ethyl]-3-methyl-1,3-dihydroindol-2-one
PubChem CID141240209
Molecular FormulaC27H31F3N4O3
Molecular Weight516.56 g/mol
Exact Mass516.23
IUPAC Name5-[1-[3-(methoxymethyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]pyrrolidin-1-yl]ethyl]-3-methyl-1,3-dihydroindol-2-one
SMILESCOCC1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CCN(C(C)c2ccc3c(c2)C(C)C(=O)N3)C1
InChIInChI=1S/C27H31F3N4O3/c1-16-21-11-18(4-5-23(21)32-24(16)35)17(2)34-9-7-26(14-34,15-37-3)25(36)33-8-6-22-19(13-33)10-20(12-31-22)27(28,29)30/h4-5,10-12,16-17H,6-9,13-15H2,1-3H3,(H,32,35)
InChIKeyZGKQMYISSKOYPL-UHFFFAOYSA-N
XLogP4.14
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.56
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[3-(methoxymethyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]pyrrolidin-1-yl]ethyl]-3-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-[1-[3-(methoxymethyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]pyrrolidin-1-yl]ethyl]-3-methyl-1,3-dihydroindol-2-one (CID 141240209) is 5-[1-[3-(methoxymethyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]pyrrolidin-1-yl]ethyl]-3-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[1-[3-(methoxymethyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]pyrrolidin-1-yl]ethyl]-3-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[1-[3-(methoxymethyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]pyrrolidin-1-yl]ethyl]-3-methyl-1,3-dihydroindol-2-one is COCC1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CCN(C(C)c2ccc3c(c2)C(C)C(=O)N3)C1.
What is the InChIKey of 5-[1-[3-(methoxymethyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]pyrrolidin-1-yl]ethyl]-3-methyl-1,3-dihydroindol-2-one?
The InChIKey is ZGKQMYISSKOYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F3N4O3/c1-16-21-11-18(4-5-23(21)32-24(16)35)17(2)34-9-7-26(14-34,15-37-3)25(36)33-8-6-22-19(13-33)10-20(12-31-22)27(28,29)30/h4-5,10-12,16-17H,6-9,13-15H2,1-3H3,(H,32,35).
What are the key properties of 5-[1-[3-(methoxymethyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]pyrrolidin-1-yl]ethyl]-3-methyl-1,3-dihydroindol-2-one?
5-[1-[3-(methoxymethyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]pyrrolidin-1-yl]ethyl]-3-methyl-1,3-dihydroindol-2-one has a molecular weight of 516.56 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[3-(methoxymethyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]pyrrolidin-1-yl]ethyl]-3-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 141240209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).