(3R)-6-[[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 141240220

IUPAC(3R)-6-[[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)NC(=O)[C@@H]3C)C1
InChIInChI=1S/C26H29F3N4O3/c1-16-20-4-3-17(9-22(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)/t16-,25?/m1/s1
InChIKeyULTQAKIIKKURGF-ZRTDVJLTSA-N
MW502.54 g/mol
LogP3.58
Rot. Bonds5

About (3R)-6-[[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

(3R)-6-[[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 141240220) has the molecular formula C26H29F3N4O3 and a molecular weight of 502.54 g/mol. Its IUPAC name is (3R)-6-[[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 Name(3R)-6-[[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 CID141240220
Molecular FormulaC26H29F3N4O3
Molecular Weight502.54 g/mol
Exact Mass502.22
IUPAC Name(3R)-6-[[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)NC(=O)[C@@H]3C)C1
InChIInChI=1S/C26H29F3N4O3/c1-16-20-4-3-17(9-22(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)/t16-,25?/m1/s1
InChIKeyULTQAKIIKKURGF-ZRTDVJLTSA-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 (3R)-6-[[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 (3R)-6-[[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 (3R)-6-[[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 141240220) is (3R)-6-[[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 (3R)-6-[[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 (3R)-6-[[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)NC(=O)[C@@H]3C)C1.
What is the InChIKey of (3R)-6-[[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 ULTQAKIIKKURGF-ZRTDVJLTSA-N. The full InChI is InChI=1S/C26H29F3N4O3/c1-16-20-4-3-17(9-22(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)/t16-,25?/m1/s1.
What are the key properties of (3R)-6-[[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?
(3R)-6-[[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 (3R)-6-[[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 141240220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).