7-(2-methoxyethyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one

C15H15F3N4O2 — CID 162569655

IUPAC7-(2-methoxyethyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCOCCC1c2ncccc2C(=O)N1c1cnn(CC(F)(F)F)c1
InChIInChI=1S/C15H15F3N4O2/c1-24-6-4-12-13-11(3-2-5-19-13)14(23)22(12)10-7-20-21(8-10)9-15(16,17)18/h2-3,5,7-8,12H,4,6,9H2,1H3
InChIKeyJQQIQKNIVIUORT-UHFFFAOYSA-N
MW340.31 g/mol
LogP2.58
Rot. Bonds5

About 7-(2-methoxyethyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one

7-(2-methoxyethyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 162569655) has the molecular formula C15H15F3N4O2 and a molecular weight of 340.31 g/mol. Its IUPAC name is 7-(2-methoxyethyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name7-(2-methoxyethyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID162569655
Molecular FormulaC15H15F3N4O2
Molecular Weight340.31 g/mol
Exact Mass340.11
IUPAC Name7-(2-methoxyethyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCOCCC1c2ncccc2C(=O)N1c1cnn(CC(F)(F)F)c1
InChIInChI=1S/C15H15F3N4O2/c1-24-6-4-12-13-11(3-2-5-19-13)14(23)22(12)10-7-20-21(8-10)9-15(16,17)18/h2-3,5,7-8,12H,4,6,9H2,1H3
InChIKeyJQQIQKNIVIUORT-UHFFFAOYSA-N
XLogP2.58
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyethyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 7-(2-methoxyethyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 162569655) is 7-(2-methoxyethyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 7-(2-methoxyethyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 7-(2-methoxyethyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one is COCCC1c2ncccc2C(=O)N1c1cnn(CC(F)(F)F)c1.
What is the InChIKey of 7-(2-methoxyethyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is JQQIQKNIVIUORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O2/c1-24-6-4-12-13-11(3-2-5-19-13)14(23)22(12)10-7-20-21(8-10)9-15(16,17)18/h2-3,5,7-8,12H,4,6,9H2,1H3.
What are the key properties of 7-(2-methoxyethyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
7-(2-methoxyethyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 340.31 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyethyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 162569655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).