(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone

C21H18N4O2S2 — CID 11841098

About (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone

(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone (PubChem CID 11841098) has the molecular formula C21H18N4O2S2 and a molecular weight of 422.54 g/mol. Its IUPAC name is (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone.

Molecular Properties

• Compound Name: (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone
• PubChem CID: 11841098
• Molecular Formula: C21H18N4O2S2
• Molecular Weight: 422.54 g/mol
• Exact Mass: 422.09
• IUPAC Name: (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone
• SMILES: Cc1cc(C)c2c(N)c(C(=O)N3N=C(c4cccs4)CC3c3ccco3)sc2n1
• InChI: InChI=1S/C21H18N4O2S2/c1-11-9-12(2)23-20-17(11)18(22)19(29-20)21(26)25-14(15-5-3-7-27-15)10-13(24-25)16-6-4-8-28-16/h3-9,14H,10,22H2,1-2H3
• InChIKey: WYBPHKCJQZDRNV-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 84.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.54
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone?

The IUPAC name of (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone (CID 11841098) is (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone.

What is the SMILES notation for (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone?

The canonical SMILES for (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone is Cc1cc(C)c2c(N)c(C(=O)N3N=C(c4cccs4)CC3c3ccco3)sc2n1.

What is the InChIKey of (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone?

The InChIKey is WYBPHKCJQZDRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S2/c1-11-9-12(2)23-20-17(11)18(22)19(29-20)21(26)25-14(15-5-3-7-27-15)10-13(24-25)16-6-4-8-28-16/h3-9,14H,10,22H2,1-2H3.

What are the key properties of (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone?

(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone has a molecular weight of 422.54 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone is sourced from PubChem (CID 11841098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).