3,7-dimethyl-1-[[6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-3,7-dihydroindole-2,6-dione

C19H19F3N2O3 — CID 151334951

IUPAC3,7-dimethyl-1-[[6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-3,7-dihydroindole-2,6-dione
SMILESCC1C(=O)N(Cc2ccc(C(C)(O)C(F)(F)F)nc2)C2=C1C=CC(=O)C2C
InChIInChI=1S/C19H19F3N2O3/c1-10-13-5-6-14(25)11(2)16(13)24(17(10)26)9-12-4-7-15(23-8-12)18(3,27)19(20,21)22/h4-8,10-11,27H,9H2,1-3H3
InChIKeyOJFUTEGUCUIXBP-UHFFFAOYSA-N
MW380.37 g/mol
LogP2.86
Rot. Bonds3

About 3,7-dimethyl-1-[[6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-3,7-dihydroindole-2,6-dione

3,7-dimethyl-1-[[6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-3,7-dihydroindole-2,6-dione (PubChem CID 151334951) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is 3,7-dimethyl-1-[[6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-3,7-dihydroindole-2,6-dione.

Molecular Properties

Compound Name3,7-dimethyl-1-[[6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-3,7-dihydroindole-2,6-dione
PubChem CID151334951
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC Name3,7-dimethyl-1-[[6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-3,7-dihydroindole-2,6-dione
SMILESCC1C(=O)N(Cc2ccc(C(C)(O)C(F)(F)F)nc2)C2=C1C=CC(=O)C2C
InChIInChI=1S/C19H19F3N2O3/c1-10-13-5-6-14(25)11(2)16(13)24(17(10)26)9-12-4-7-15(23-8-12)18(3,27)19(20,21)22/h4-8,10-11,27H,9H2,1-3H3
InChIKeyOJFUTEGUCUIXBP-UHFFFAOYSA-N
XLogP2.86
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-1-[[6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-3,7-dihydroindole-2,6-dione?
The IUPAC name of 3,7-dimethyl-1-[[6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-3,7-dihydroindole-2,6-dione (CID 151334951) is 3,7-dimethyl-1-[[6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-3,7-dihydroindole-2,6-dione.
What is the SMILES notation for 3,7-dimethyl-1-[[6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-3,7-dihydroindole-2,6-dione?
The canonical SMILES for 3,7-dimethyl-1-[[6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-3,7-dihydroindole-2,6-dione is CC1C(=O)N(Cc2ccc(C(C)(O)C(F)(F)F)nc2)C2=C1C=CC(=O)C2C.
What is the InChIKey of 3,7-dimethyl-1-[[6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-3,7-dihydroindole-2,6-dione?
The InChIKey is OJFUTEGUCUIXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c1-10-13-5-6-14(25)11(2)16(13)24(17(10)26)9-12-4-7-15(23-8-12)18(3,27)19(20,21)22/h4-8,10-11,27H,9H2,1-3H3.
What are the key properties of 3,7-dimethyl-1-[[6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-3,7-dihydroindole-2,6-dione?
3,7-dimethyl-1-[[6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-3,7-dihydroindole-2,6-dione has a molecular weight of 380.37 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-1-[[6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-3,7-dihydroindole-2,6-dione is sourced from PubChem (CID 151334951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).