(4S)-5-(2-methoxyethyl)-3-(3-methoxyphenyl)-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

C20H20N4O3 — CID 42536706

About (4S)-5-(2-methoxyethyl)-3-(3-methoxyphenyl)-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

(4S)-5-(2-methoxyethyl)-3-(3-methoxyphenyl)-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (PubChem CID 42536706) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is (4S)-5-(2-methoxyethyl)-3-(3-methoxyphenyl)-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

• Compound Name: (4S)-5-(2-methoxyethyl)-3-(3-methoxyphenyl)-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
• PubChem CID: 42536706
• Molecular Formula: C20H20N4O3
• Molecular Weight: 364.41 g/mol
• Exact Mass: 364.15
• IUPAC Name: (4S)-5-(2-methoxyethyl)-3-(3-methoxyphenyl)-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
• SMILES: COCCN1C(=O)c2[nH]nc(-c3cccc(OC)c3)c2[C@H]1c1ccccn1
• InChI: InChI=1S/C20H20N4O3/c1-26-11-10-24-19(15-8-3-4-9-21-15)16-17(22-23-18(16)20(24)25)13-6-5-7-14(12-13)27-2/h3-9,12,19H,10-11H2,1-2H3,(H,22,23)/t19-/m1/s1
• InChIKey: MTGAGFMVHLSCLL-LJQANCHMSA-N
• XLogP: 2.67
• TPSA: 80.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.41
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (4S)-5-(2-methoxyethyl)-3-(3-methoxyphenyl)-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?

The IUPAC name of (4S)-5-(2-methoxyethyl)-3-(3-methoxyphenyl)-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (CID 42536706) is (4S)-5-(2-methoxyethyl)-3-(3-methoxyphenyl)-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.

What is the SMILES notation for (4S)-5-(2-methoxyethyl)-3-(3-methoxyphenyl)-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?

The canonical SMILES for (4S)-5-(2-methoxyethyl)-3-(3-methoxyphenyl)-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is COCCN1C(=O)c2[nH]nc(-c3cccc(OC)c3)c2[C@H]1c1ccccn1.

What is the InChIKey of (4S)-5-(2-methoxyethyl)-3-(3-methoxyphenyl)-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?

The InChIKey is MTGAGFMVHLSCLL-LJQANCHMSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-26-11-10-24-19(15-8-3-4-9-21-15)16-17(22-23-18(16)20(24)25)13-6-5-7-14(12-13)27-2/h3-9,12,19H,10-11H2,1-2H3,(H,22,23)/t19-/m1/s1.

What are the key properties of (4S)-5-(2-methoxyethyl)-3-(3-methoxyphenyl)-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?

(4S)-5-(2-methoxyethyl)-3-(3-methoxyphenyl)-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 364.41 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-5-(2-methoxyethyl)-3-(3-methoxyphenyl)-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 42536706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).