1-[2-[(3S)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one

C22H22N4O5S2 — CID 42209560

About 1-[2-[(3S)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one

1-[2-[(3S)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one (PubChem CID 42209560) has the molecular formula C22H22N4O5S2 and a molecular weight of 486.58 g/mol. Its IUPAC name is 1-[2-[(3S)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one.

Molecular Properties

• Compound Name: 1-[2-[(3S)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
• PubChem CID: 42209560
• Molecular Formula: C22H22N4O5S2
• Molecular Weight: 486.58 g/mol
• Exact Mass: 486.10
• IUPAC Name: 1-[2-[(3S)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
• SMILES: O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)N1N=C(c2cccs2)C[C@H]1c1ccco1
• InChI: InChI=1S/C22H22N4O5S2/c27-21-8-7-16(33(29,30)25-9-1-2-10-25)14-24(21)15-22(28)26-18(19-5-3-11-31-19)13-17(23-26)20-6-4-12-32-20/h3-8,11-12,14,18H,1-2,9-10,13,15H2/t18-/m0/s1
• InChIKey: HBNOCFXBEKNVMN-SFHVURJKSA-N
• XLogP: 2.67
• TPSA: 105.19 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.58
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3S)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?

The IUPAC name of 1-[2-[(3S)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one (CID 42209560) is 1-[2-[(3S)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one.

What is the SMILES notation for 1-[2-[(3S)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?

The canonical SMILES for 1-[2-[(3S)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one is O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)N1N=C(c2cccs2)C[C@H]1c1ccco1.

What is the InChIKey of 1-[2-[(3S)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?

The InChIKey is HBNOCFXBEKNVMN-SFHVURJKSA-N. The full InChI is InChI=1S/C22H22N4O5S2/c27-21-8-7-16(33(29,30)25-9-1-2-10-25)14-24(21)15-22(28)26-18(19-5-3-11-31-19)13-17(23-26)20-6-4-12-32-20/h3-8,11-12,14,18H,1-2,9-10,13,15H2/t18-/m0/s1.

What are the key properties of 1-[2-[(3S)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?

1-[2-[(3S)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one has a molecular weight of 486.58 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(3S)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one is sourced from PubChem (CID 42209560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).