2-(5-cyano-2-pyridinyl)-6-[2-ethyl-4-(2,2,2-trifluoroethoxy)phenyl]-4-oxo-N-(2-sulfinamoylethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridine-3-carboxamide

C25H24F3N7O4S — CID 146607423

About 2-(5-cyano-2-pyridinyl)-6-[2-ethyl-4-(2,2,2-trifluoroethoxy)phenyl]-4-oxo-N-(2-sulfinamoylethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridine-3-carboxamide

2-(5-cyano-2-pyridinyl)-6-[2-ethyl-4-(2,2,2-trifluoroethoxy)phenyl]-4-oxo-N-(2-sulfinamoylethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 146607423) has the molecular formula C25H24F3N7O4S and a molecular weight of 575.57 g/mol. Its IUPAC name is 2-(5-cyano-2-pyridinyl)-6-[2-ethyl-4-(2,2,2-trifluoroethoxy)phenyl]-4-oxo-N-(2-sulfinamoylethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-(5-cyano-2-pyridinyl)-6-[2-ethyl-4-(2,2,2-trifluoroethoxy)phenyl]-4-oxo-N-(2-sulfinamoylethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 146607423
• Molecular Formula: C25H24F3N7O4S
• Molecular Weight: 575.57 g/mol
• Exact Mass: 575.16
• IUPAC Name: 2-(5-cyano-2-pyridinyl)-6-[2-ethyl-4-(2,2,2-trifluoroethoxy)phenyl]-4-oxo-N-(2-sulfinamoylethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: CCc1cc(OCC(F)(F)F)ccc1C1Cc2nn(-c3ccc(C#N)cn3)c(C(=O)NCCS(N)=O)c2C(=O)N1
• InChI: InChI=1S/C25H24F3N7O4S/c1-2-15-9-16(39-13-25(26,27)28)4-5-17(15)18-10-19-21(23(36)33-18)22(24(37)31-7-8-40(30)38)35(34-19)20-6-3-14(11-29)12-32-20/h3-6,9,12,18H,2,7-8,10,13,30H2,1H3,(H,31,37)(H,33,36)
• InChIKey: UBMYCMYGCRWHFX-UHFFFAOYSA-N
• XLogP: 2.02
• TPSA: 165.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.57
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-2-pyridinyl)-6-[2-ethyl-4-(2,2,2-trifluoroethoxy)phenyl]-4-oxo-N-(2-sulfinamoylethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The IUPAC name of 2-(5-cyano-2-pyridinyl)-6-[2-ethyl-4-(2,2,2-trifluoroethoxy)phenyl]-4-oxo-N-(2-sulfinamoylethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 146607423) is 2-(5-cyano-2-pyridinyl)-6-[2-ethyl-4-(2,2,2-trifluoroethoxy)phenyl]-4-oxo-N-(2-sulfinamoylethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridine-3-carboxamide.

What is the SMILES notation for 2-(5-cyano-2-pyridinyl)-6-[2-ethyl-4-(2,2,2-trifluoroethoxy)phenyl]-4-oxo-N-(2-sulfinamoylethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The canonical SMILES for 2-(5-cyano-2-pyridinyl)-6-[2-ethyl-4-(2,2,2-trifluoroethoxy)phenyl]-4-oxo-N-(2-sulfinamoylethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridine-3-carboxamide is CCc1cc(OCC(F)(F)F)ccc1C1Cc2nn(-c3ccc(C#N)cn3)c(C(=O)NCCS(N)=O)c2C(=O)N1.

What is the InChIKey of 2-(5-cyano-2-pyridinyl)-6-[2-ethyl-4-(2,2,2-trifluoroethoxy)phenyl]-4-oxo-N-(2-sulfinamoylethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The InChIKey is UBMYCMYGCRWHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N7O4S/c1-2-15-9-16(39-13-25(26,27)28)4-5-17(15)18-10-19-21(23(36)33-18)22(24(37)31-7-8-40(30)38)35(34-19)20-6-3-14(11-29)12-32-20/h3-6,9,12,18H,2,7-8,10,13,30H2,1H3,(H,31,37)(H,33,36).

What are the key properties of 2-(5-cyano-2-pyridinyl)-6-[2-ethyl-4-(2,2,2-trifluoroethoxy)phenyl]-4-oxo-N-(2-sulfinamoylethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridine-3-carboxamide?

2-(5-cyano-2-pyridinyl)-6-[2-ethyl-4-(2,2,2-trifluoroethoxy)phenyl]-4-oxo-N-(2-sulfinamoylethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 575.57 g/mol, XLogP of 2.02, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-cyano-2-pyridinyl)-6-[2-ethyl-4-(2,2,2-trifluoroethoxy)phenyl]-4-oxo-N-(2-sulfinamoylethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 146607423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).