1-(oxan-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-b]pyridin-2-one

C20H19F3N2O2 — CID 158230572

IUPAC1-(oxan-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-b]pyridin-2-one
SMILESO=C1Cc2ncc(-c3cccc(C(F)(F)F)c3)cc2N1CC1CCCCO1
InChIInChI=1S/C20H19F3N2O2/c21-20(22,23)15-5-3-4-13(8-15)14-9-18-17(24-11-14)10-19(26)25(18)12-16-6-1-2-7-27-16/h3-5,8-9,11,16H,1-2,6-7,10,12H2
InChIKeyGEIGJMTZFDGCCR-UHFFFAOYSA-N
MW376.38 g/mol
LogP4.23
Rot. Bonds3

About 1-(oxan-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-b]pyridin-2-one

1-(oxan-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-b]pyridin-2-one (PubChem CID 158230572) has the molecular formula C20H19F3N2O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is 1-(oxan-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-b]pyridin-2-one.

Molecular Properties

Compound Name1-(oxan-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-b]pyridin-2-one
PubChem CID158230572
Molecular FormulaC20H19F3N2O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC Name1-(oxan-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-b]pyridin-2-one
SMILESO=C1Cc2ncc(-c3cccc(C(F)(F)F)c3)cc2N1CC1CCCCO1
InChIInChI=1S/C20H19F3N2O2/c21-20(22,23)15-5-3-4-13(8-15)14-9-18-17(24-11-14)10-19(26)25(18)12-16-6-1-2-7-27-16/h3-5,8-9,11,16H,1-2,6-7,10,12H2
InChIKeyGEIGJMTZFDGCCR-UHFFFAOYSA-N
XLogP4.23
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[3-(trifluoromethyl)phenyl]-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3H-pyrrolo[3,2-b]pyridin-2-one
CID 159946622
1-[[(2R)-oxolan-2-yl]methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine
CID 175730577
3-[[2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-b]pyridin-1-yl]methyl]benzonitrile
CID 160953977
1-[(6-methoxypyridazin-3-yl)methyl]-6-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-b]pyridin-2-one
CID 158654741
1-(cyclopropylmethyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridine
CID 163362321
2-[3-(oxolan-2-ylmethoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 167961300
(5Z)-3-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 126086776
1-(2-cyclopropyl-2-hydroxyethyl)-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one
CID 134493690
1-[6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]butan-2-one
CID 163362316
1-[2-(azetidin-1-yl)-2-oxoethyl]-6-[3-(2-fluoroethoxy)-5-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-b]pyridin-2-one
CID 146936111
1-(2-cyclobutyl-2-oxoethyl)-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one
CID 134493753
N-(oxan-2-ylmethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide
CID 45171870

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-b]pyridin-2-one?
The IUPAC name of 1-(oxan-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-b]pyridin-2-one (CID 158230572) is 1-(oxan-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-b]pyridin-2-one.
What is the SMILES notation for 1-(oxan-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-b]pyridin-2-one?
The canonical SMILES for 1-(oxan-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-b]pyridin-2-one is O=C1Cc2ncc(-c3cccc(C(F)(F)F)c3)cc2N1CC1CCCCO1.
What is the InChIKey of 1-(oxan-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-b]pyridin-2-one?
The InChIKey is GEIGJMTZFDGCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O2/c21-20(22,23)15-5-3-4-13(8-15)14-9-18-17(24-11-14)10-19(26)25(18)12-16-6-1-2-7-27-16/h3-5,8-9,11,16H,1-2,6-7,10,12H2.
What are the key properties of 1-(oxan-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-b]pyridin-2-one?
1-(oxan-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-b]pyridin-2-one has a molecular weight of 376.38 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-b]pyridin-2-one is sourced from PubChem (CID 158230572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).