1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-b]pyridine;1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridine;1-(1-benzothiophen-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-b]pyridine;formic acid

C63H60N12O14S4 — CID 158785111

About 1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-b]pyridine;1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridine;1-(1-benzothiophen-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-b]pyridine;formic acid

1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-b]pyridine;1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridine;1-(1-benzothiophen-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-b]pyridine;formic acid (PubChem CID 158785111) has the molecular formula C63H60N12O14S4 and a molecular weight of 1337.51 g/mol. Its IUPAC name is 1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-b]pyridine;1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridine;1-(1-benzothiophen-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-b]pyridine;formic acid.

Molecular Properties

• Compound Name: 1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-b]pyridine;1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridine;1-(1-benzothiophen-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-b]pyridine;formic acid
• PubChem CID: 158785111
• Molecular Formula: C63H60N12O14S4
• Molecular Weight: 1337.51 g/mol
• Exact Mass: 1336.32
• IUPAC Name: 1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-b]pyridine;1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridine;1-(1-benzothiophen-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-b]pyridine;formic acid
• SMILES: CN1CC=C(c2nn(S(=O)(=O)c3ccc4occc4c3)c3cccnc23)CC1.CN1CC=C(c2nn(S(=O)(=O)c3ccc4occc4c3)c3ncccc23)CC1.CN1CC=C(c2nn(S(=O)(=O)c3ccc4sccc4c3)c3cccnc23)CC1.O=CO.O=CO.O=CO
• InChI: InChI=1S/2C20H18N4O3S.C20H18N4O2S2.3CH2O2/c1-23-10-6-14(7-11-23)19-20-17(3-2-9-21-20)24(22-19)28(25,26)16-4-5-18-15(13-16)8-12-27-18;1-23-10-6-14(7-11-23)19-17-3-2-9-21-20(17)24(22-19)28(25,26)16-4-5-18-15(13-16)8-12-27-18;1-23-10-6-14(7-11-23)19-20-17(3-2-9-21-20)24(22-19)28(25,26)16-4-5-18-15(13-16)8-12-27-18;3*2-1-3/h3*2-6,8-9,12-13H,7,10-11H2,1H3;3*1H,(H,2,3)
• InChIKey: IROQUDBTSXSDHJ-UHFFFAOYSA-N
• XLogP: 8.97
• TPSA: 342.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 9
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1337.51
LogP ≤ 5	8.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-b]pyridine;1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridine;1-(1-benzothiophen-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-b]pyridine;formic acid?

The IUPAC name of 1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-b]pyridine;1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridine;1-(1-benzothiophen-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-b]pyridine;formic acid (CID 158785111) is 1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-b]pyridine;1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridine;1-(1-benzothiophen-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-b]pyridine;formic acid.

What is the SMILES notation for 1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-b]pyridine;1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridine;1-(1-benzothiophen-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-b]pyridine;formic acid?

The canonical SMILES for 1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-b]pyridine;1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridine;1-(1-benzothiophen-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-b]pyridine;formic acid is CN1CC=C(c2nn(S(=O)(=O)c3ccc4occc4c3)c3cccnc23)CC1.CN1CC=C(c2nn(S(=O)(=O)c3ccc4occc4c3)c3ncccc23)CC1.CN1CC=C(c2nn(S(=O)(=O)c3ccc4sccc4c3)c3cccnc23)CC1.O=CO.O=CO.O=CO.

What is the InChIKey of 1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-b]pyridine;1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridine;1-(1-benzothiophen-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-b]pyridine;formic acid?

The InChIKey is IROQUDBTSXSDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H18N4O3S.C20H18N4O2S2.3CH2O2/c1-23-10-6-14(7-11-23)19-20-17(3-2-9-21-20)24(22-19)28(25,26)16-4-5-18-15(13-16)8-12-27-18;1-23-10-6-14(7-11-23)19-17-3-2-9-21-20(17)24(22-19)28(25,26)16-4-5-18-15(13-16)8-12-27-18;1-23-10-6-14(7-11-23)19-20-17(3-2-9-21-20)24(22-19)28(25,26)16-4-5-18-15(13-16)8-12-27-18;3*2-1-3/h3*2-6,8-9,12-13H,7,10-11H2,1H3;3*1H,(H,2,3).

What are the key properties of 1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-b]pyridine;1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridine;1-(1-benzothiophen-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-b]pyridine;formic acid?

1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-b]pyridine;1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridine;1-(1-benzothiophen-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-b]pyridine;formic acid has a molecular weight of 1337.51 g/mol, XLogP of 8.97, 9 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-b]pyridine;1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridine;1-(1-benzothiophen-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-b]pyridine;formic acid is sourced from PubChem (CID 158785111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).