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

C25H27F3N4O3 — CID 141240223

IUPAC5-[[3-(hydroxymethyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]pyrrolidin-1-yl]methyl]-3-methyl-1,3-dihydroindol-2-one
SMILESCC1C(=O)Nc2ccc(CN3CCC(CO)(C(=O)N4CCc5ncc(C(F)(F)F)cc5C4)C3)cc21
InChIInChI=1S/C25H27F3N4O3/c1-15-19-8-16(2-3-21(19)30-22(15)34)11-31-7-5-24(13-31,14-33)23(35)32-6-4-20-17(12-32)9-18(10-29-20)25(26,27)28/h2-3,8-10,15,33H,4-7,11-14H2,1H3,(H,30,34)
InChIKeyCAKFZGHJUDRICS-UHFFFAOYSA-N
MW488.51 g/mol
LogP2.93
Rot. Bonds4

About 5-[[3-(hydroxymethyl)-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-(hydroxymethyl)-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 141240223) has the molecular formula C25H27F3N4O3 and a molecular weight of 488.51 g/mol. Its IUPAC name is 5-[[3-(hydroxymethyl)-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-(hydroxymethyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]pyrrolidin-1-yl]methyl]-3-methyl-1,3-dihydroindol-2-one
PubChem CID141240223
Molecular FormulaC25H27F3N4O3
Molecular Weight488.51 g/mol
Exact Mass488.20
IUPAC Name5-[[3-(hydroxymethyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]pyrrolidin-1-yl]methyl]-3-methyl-1,3-dihydroindol-2-one
SMILESCC1C(=O)Nc2ccc(CN3CCC(CO)(C(=O)N4CCc5ncc(C(F)(F)F)cc5C4)C3)cc21
InChIInChI=1S/C25H27F3N4O3/c1-15-19-8-16(2-3-21(19)30-22(15)34)11-31-7-5-24(13-31,14-33)23(35)32-6-4-20-17(12-32)9-18(10-29-20)25(26,27)28/h2-3,8-10,15,33H,4-7,11-14H2,1H3,(H,30,34)
InChIKeyCAKFZGHJUDRICS-UHFFFAOYSA-N
XLogP2.93
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.51
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[3-(hydroxymethyl)-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-(hydroxymethyl)-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-(hydroxymethyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]pyrrolidin-1-yl]methyl]-3-methyl-1,3-dihydroindol-2-one (CID 141240223) is 5-[[3-(hydroxymethyl)-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-(hydroxymethyl)-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-(hydroxymethyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]pyrrolidin-1-yl]methyl]-3-methyl-1,3-dihydroindol-2-one is CC1C(=O)Nc2ccc(CN3CCC(CO)(C(=O)N4CCc5ncc(C(F)(F)F)cc5C4)C3)cc21.
What is the InChIKey of 5-[[3-(hydroxymethyl)-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 CAKFZGHJUDRICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N4O3/c1-15-19-8-16(2-3-21(19)30-22(15)34)11-31-7-5-24(13-31,14-33)23(35)32-6-4-20-17(12-32)9-18(10-29-20)25(26,27)28/h2-3,8-10,15,33H,4-7,11-14H2,1H3,(H,30,34).
What are the key properties of 5-[[3-(hydroxymethyl)-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-(hydroxymethyl)-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 488.51 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(hydroxymethyl)-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 141240223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).