[4-[1-(2-methoxyethyl)-3-(3,3,3-trifluoropropylcarbamoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]pyrrolo[2,3-d]pyrimidin-7-yl] thiohypofluorite

C19H21F4N7O2S — CID 155155076

About [4-[1-(2-methoxyethyl)-3-(3,3,3-trifluoropropylcarbamoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]pyrrolo[2,3-d]pyrimidin-7-yl] thiohypofluorite

[4-[1-(2-methoxyethyl)-3-(3,3,3-trifluoropropylcarbamoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]pyrrolo[2,3-d]pyrimidin-7-yl] thiohypofluorite (PubChem CID 155155076) has the molecular formula C19H21F4N7O2S and a molecular weight of 487.48 g/mol. Its IUPAC name is [4-[1-(2-methoxyethyl)-3-(3,3,3-trifluoropropylcarbamoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]pyrrolo[2,3-d]pyrimidin-7-yl] thiohypofluorite.

Molecular Properties

• Compound Name: [4-[1-(2-methoxyethyl)-3-(3,3,3-trifluoropropylcarbamoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]pyrrolo[2,3-d]pyrimidin-7-yl] thiohypofluorite
• PubChem CID: 155155076
• Molecular Formula: C19H21F4N7O2S
• Molecular Weight: 487.48 g/mol
• Exact Mass: 487.14
• IUPAC Name: [4-[1-(2-methoxyethyl)-3-(3,3,3-trifluoropropylcarbamoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]pyrrolo[2,3-d]pyrimidin-7-yl] thiohypofluorite
• SMILES: COCCn1nc(C(=O)NCCC(F)(F)F)c2c1CCN(c1ncnc3c1ccn3SF)C2
• InChI: InChI=1S/C19H21F4N7O2S/c1-32-9-8-29-14-3-6-28(16-12-2-7-30(33-23)17(12)26-11-25-16)10-13(14)15(27-29)18(31)24-5-4-19(20,21)22/h2,7,11H,3-6,8-10H2,1H3,(H,24,31)
• InChIKey: BGUWKNQJAITOPW-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 90.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.48
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [4-[1-(2-methoxyethyl)-3-(3,3,3-trifluoropropylcarbamoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]pyrrolo[2,3-d]pyrimidin-7-yl] thiohypofluorite?

The IUPAC name of [4-[1-(2-methoxyethyl)-3-(3,3,3-trifluoropropylcarbamoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]pyrrolo[2,3-d]pyrimidin-7-yl] thiohypofluorite (CID 155155076) is [4-[1-(2-methoxyethyl)-3-(3,3,3-trifluoropropylcarbamoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]pyrrolo[2,3-d]pyrimidin-7-yl] thiohypofluorite.

What is the SMILES notation for [4-[1-(2-methoxyethyl)-3-(3,3,3-trifluoropropylcarbamoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]pyrrolo[2,3-d]pyrimidin-7-yl] thiohypofluorite?

The canonical SMILES for [4-[1-(2-methoxyethyl)-3-(3,3,3-trifluoropropylcarbamoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]pyrrolo[2,3-d]pyrimidin-7-yl] thiohypofluorite is COCCn1nc(C(=O)NCCC(F)(F)F)c2c1CCN(c1ncnc3c1ccn3SF)C2.

What is the InChIKey of [4-[1-(2-methoxyethyl)-3-(3,3,3-trifluoropropylcarbamoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]pyrrolo[2,3-d]pyrimidin-7-yl] thiohypofluorite?

The InChIKey is BGUWKNQJAITOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F4N7O2S/c1-32-9-8-29-14-3-6-28(16-12-2-7-30(33-23)17(12)26-11-25-16)10-13(14)15(27-29)18(31)24-5-4-19(20,21)22/h2,7,11H,3-6,8-10H2,1H3,(H,24,31).

What are the key properties of [4-[1-(2-methoxyethyl)-3-(3,3,3-trifluoropropylcarbamoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]pyrrolo[2,3-d]pyrimidin-7-yl] thiohypofluorite?

[4-[1-(2-methoxyethyl)-3-(3,3,3-trifluoropropylcarbamoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]pyrrolo[2,3-d]pyrimidin-7-yl] thiohypofluorite has a molecular weight of 487.48 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[1-(2-methoxyethyl)-3-(3,3,3-trifluoropropylcarbamoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]pyrrolo[2,3-d]pyrimidin-7-yl] thiohypofluorite is sourced from PubChem (CID 155155076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).