4-(3-hydroxyphenyl)-6-morpholin-4-yl-2-(2,2,2-trifluoroethyl)-3H-pyrrolo[3,4-c]pyridin-1-one

C19H18F3N3O3 — CID 134809443

IUPAC4-(3-hydroxyphenyl)-6-morpholin-4-yl-2-(2,2,2-trifluoroethyl)-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESO=C1c2cc(N3CCOCC3)nc(-c3cccc(O)c3)c2CN1CC(F)(F)F
InChIInChI=1S/C19H18F3N3O3/c20-19(21,22)11-25-10-15-14(18(25)27)9-16(24-4-6-28-7-5-24)23-17(15)12-2-1-3-13(26)8-12/h1-3,8-9,26H,4-7,10-11H2
InChIKeyNOAPTBLKZJZQBE-UHFFFAOYSA-N
MW393.37 g/mol
LogP2.81
Rot. Bonds3

About 4-(3-hydroxyphenyl)-6-morpholin-4-yl-2-(2,2,2-trifluoroethyl)-3H-pyrrolo[3,4-c]pyridin-1-one

4-(3-hydroxyphenyl)-6-morpholin-4-yl-2-(2,2,2-trifluoroethyl)-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 134809443) has the molecular formula C19H18F3N3O3 and a molecular weight of 393.37 g/mol. Its IUPAC name is 4-(3-hydroxyphenyl)-6-morpholin-4-yl-2-(2,2,2-trifluoroethyl)-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name4-(3-hydroxyphenyl)-6-morpholin-4-yl-2-(2,2,2-trifluoroethyl)-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID134809443
Molecular FormulaC19H18F3N3O3
Molecular Weight393.37 g/mol
Exact Mass393.13
IUPAC Name4-(3-hydroxyphenyl)-6-morpholin-4-yl-2-(2,2,2-trifluoroethyl)-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESO=C1c2cc(N3CCOCC3)nc(-c3cccc(O)c3)c2CN1CC(F)(F)F
InChIInChI=1S/C19H18F3N3O3/c20-19(21,22)11-25-10-15-14(18(25)27)9-16(24-4-6-28-7-5-24)23-17(15)12-2-1-3-13(26)8-12/h1-3,8-9,26H,4-7,10-11H2
InChIKeyNOAPTBLKZJZQBE-UHFFFAOYSA-N
XLogP2.81
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyphenyl)-6-morpholin-4-yl-2-(2,2,2-trifluoroethyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 4-(3-hydroxyphenyl)-6-morpholin-4-yl-2-(2,2,2-trifluoroethyl)-3H-pyrrolo[3,4-c]pyridin-1-one (CID 134809443) is 4-(3-hydroxyphenyl)-6-morpholin-4-yl-2-(2,2,2-trifluoroethyl)-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 4-(3-hydroxyphenyl)-6-morpholin-4-yl-2-(2,2,2-trifluoroethyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 4-(3-hydroxyphenyl)-6-morpholin-4-yl-2-(2,2,2-trifluoroethyl)-3H-pyrrolo[3,4-c]pyridin-1-one is O=C1c2cc(N3CCOCC3)nc(-c3cccc(O)c3)c2CN1CC(F)(F)F.
What is the InChIKey of 4-(3-hydroxyphenyl)-6-morpholin-4-yl-2-(2,2,2-trifluoroethyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is NOAPTBLKZJZQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O3/c20-19(21,22)11-25-10-15-14(18(25)27)9-16(24-4-6-28-7-5-24)23-17(15)12-2-1-3-13(26)8-12/h1-3,8-9,26H,4-7,10-11H2.
What are the key properties of 4-(3-hydroxyphenyl)-6-morpholin-4-yl-2-(2,2,2-trifluoroethyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
4-(3-hydroxyphenyl)-6-morpholin-4-yl-2-(2,2,2-trifluoroethyl)-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 393.37 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyphenyl)-6-morpholin-4-yl-2-(2,2,2-trifluoroethyl)-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 134809443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).