2-[[3-[6-oxo-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]-2-pyridinyl]oxy]acetamide

C25H23N5O3S — CID 58365297

IUPAC2-[[3-[6-oxo-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]-2-pyridinyl]oxy]acetamide
SMILESCC(C)c1[nH]nc2c1C(c1cccnc1OCC(N)=O)N(c1ccc(-c3ccsc3)cc1)C2=O
InChIInChI=1S/C25H23N5O3S/c1-14(2)21-20-22(29-28-21)25(32)30(17-7-5-15(6-8-17)16-9-11-34-13-16)23(20)18-4-3-10-27-24(18)33-12-19(26)31/h3-11,13-14,23H,12H2,1-2H3,(H2,26,31)(H,28,29)
InChIKeyKITUTIUOONDNBY-UHFFFAOYSA-N
MW473.56 g/mol
LogP4.27
Rot. Bonds7

About 2-[[3-[6-oxo-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]-2-pyridinyl]oxy]acetamide

2-[[3-[6-oxo-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]-2-pyridinyl]oxy]acetamide (PubChem CID 58365297) has the molecular formula C25H23N5O3S and a molecular weight of 473.56 g/mol. Its IUPAC name is 2-[[3-[6-oxo-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]-2-pyridinyl]oxy]acetamide.

Molecular Properties

Compound Name2-[[3-[6-oxo-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]-2-pyridinyl]oxy]acetamide
PubChem CID58365297
Molecular FormulaC25H23N5O3S
Molecular Weight473.56 g/mol
Exact Mass473.15
IUPAC Name2-[[3-[6-oxo-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]-2-pyridinyl]oxy]acetamide
SMILESCC(C)c1[nH]nc2c1C(c1cccnc1OCC(N)=O)N(c1ccc(-c3ccsc3)cc1)C2=O
InChIInChI=1S/C25H23N5O3S/c1-14(2)21-20-22(29-28-21)25(32)30(17-7-5-15(6-8-17)16-9-11-34-13-16)23(20)18-4-3-10-27-24(18)33-12-19(26)31/h3-11,13-14,23H,12H2,1-2H3,(H2,26,31)(H,28,29)
InChIKeyKITUTIUOONDNBY-UHFFFAOYSA-N
XLogP4.27
TPSA114.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.56
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[3-[6-oxo-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]-2-pyridinyl]oxy]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[6-oxo-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]-2-pyridinyl]oxy]acetamide?
The IUPAC name of 2-[[3-[6-oxo-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]-2-pyridinyl]oxy]acetamide (CID 58365297) is 2-[[3-[6-oxo-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]-2-pyridinyl]oxy]acetamide.
What is the SMILES notation for 2-[[3-[6-oxo-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]-2-pyridinyl]oxy]acetamide?
The canonical SMILES for 2-[[3-[6-oxo-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]-2-pyridinyl]oxy]acetamide is CC(C)c1[nH]nc2c1C(c1cccnc1OCC(N)=O)N(c1ccc(-c3ccsc3)cc1)C2=O.
What is the InChIKey of 2-[[3-[6-oxo-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]-2-pyridinyl]oxy]acetamide?
The InChIKey is KITUTIUOONDNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3S/c1-14(2)21-20-22(29-28-21)25(32)30(17-7-5-15(6-8-17)16-9-11-34-13-16)23(20)18-4-3-10-27-24(18)33-12-19(26)31/h3-11,13-14,23H,12H2,1-2H3,(H2,26,31)(H,28,29).
What are the key properties of 2-[[3-[6-oxo-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]-2-pyridinyl]oxy]acetamide?
2-[[3-[6-oxo-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]-2-pyridinyl]oxy]acetamide has a molecular weight of 473.56 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[6-oxo-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]-2-pyridinyl]oxy]acetamide is sourced from PubChem (CID 58365297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).