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

C26H29F3N4O3 — CID 141240216

IUPAC5-[[3-(methoxymethyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]pyrrolidin-1-yl]methyl]-3-methyl-1,3-dihydroindol-2-one
SMILESCOCC1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CCN(Cc2ccc3c(c2)C(C)C(=O)N3)C1
InChIInChI=1S/C26H29F3N4O3/c1-16-20-9-17(3-4-22(20)31-23(16)34)12-32-8-6-25(14-32,15-36-2)24(35)33-7-5-21-18(13-33)10-19(11-30-21)26(27,28)29/h3-4,9-11,16H,5-8,12-15H2,1-2H3,(H,31,34)
InChIKeyOKYAKSIICYMTIP-UHFFFAOYSA-N
MW502.54 g/mol
LogP3.58
Rot. Bonds5

About 5-[[3-(methoxymethyl)-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-(methoxymethyl)-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 141240216) has the molecular formula C26H29F3N4O3 and a molecular weight of 502.54 g/mol. Its IUPAC name is 5-[[3-(methoxymethyl)-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-(methoxymethyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]pyrrolidin-1-yl]methyl]-3-methyl-1,3-dihydroindol-2-one
PubChem CID141240216
Molecular FormulaC26H29F3N4O3
Molecular Weight502.54 g/mol
Exact Mass502.22
IUPAC Name5-[[3-(methoxymethyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]pyrrolidin-1-yl]methyl]-3-methyl-1,3-dihydroindol-2-one
SMILESCOCC1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CCN(Cc2ccc3c(c2)C(C)C(=O)N3)C1
InChIInChI=1S/C26H29F3N4O3/c1-16-20-9-17(3-4-22(20)31-23(16)34)12-32-8-6-25(14-32,15-36-2)24(35)33-7-5-21-18(13-33)10-19(11-30-21)26(27,28)29/h3-4,9-11,16H,5-8,12-15H2,1-2H3,(H,31,34)
InChIKeyOKYAKSIICYMTIP-UHFFFAOYSA-N
XLogP3.58
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.54
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[3-(methoxymethyl)-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-(methoxymethyl)-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-(methoxymethyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]pyrrolidin-1-yl]methyl]-3-methyl-1,3-dihydroindol-2-one (CID 141240216) is 5-[[3-(methoxymethyl)-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-(methoxymethyl)-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-(methoxymethyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]pyrrolidin-1-yl]methyl]-3-methyl-1,3-dihydroindol-2-one is COCC1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CCN(Cc2ccc3c(c2)C(C)C(=O)N3)C1.
What is the InChIKey of 5-[[3-(methoxymethyl)-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 OKYAKSIICYMTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F3N4O3/c1-16-20-9-17(3-4-22(20)31-23(16)34)12-32-8-6-25(14-32,15-36-2)24(35)33-7-5-21-18(13-33)10-19(11-30-21)26(27,28)29/h3-4,9-11,16H,5-8,12-15H2,1-2H3,(H,31,34).
What are the key properties of 5-[[3-(methoxymethyl)-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-(methoxymethyl)-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 502.54 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(methoxymethyl)-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 141240216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).