7-chloro-6-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-4-[(4-methoxyphenyl)methyl]-2-methylpyrazolo[4,3-b]pyridin-5-one;7-chloro-6-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-2-methyl-4H-pyrazolo[4,3-b]pyridin-5-one;7-chloro-4-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde;4-ethoxy-5-methoxybenzene-1,2-diamine;6-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-2-methyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;1-ethoxy-2-methoxy-4,5-dinitrobenzene;(1S)-1-pyrimidin-2-ylethanamine;sulfane

C105H113Cl3N28O21S — CID 157167850

About 7-chloro-6-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-4-[(4-methoxyphenyl)methyl]-2-methylpyrazolo[4,3-b]pyridin-5-one;7-chloro-6-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-2-methyl-4H-pyrazolo[4,3-b]pyridin-5-one;7-chloro-4-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde;4-ethoxy-5-methoxybenzene-1,2-diamine;6-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-2-methyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;1-ethoxy-2-methoxy-4,5-dinitrobenzene;(1S)-1-pyrimidin-2-ylethanamine;sulfane

7-chloro-6-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-4-[(4-methoxyphenyl)methyl]-2-methylpyrazolo[4,3-b]pyridin-5-one;7-chloro-6-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-2-methyl-4H-pyrazolo[4,3-b]pyridin-5-one;7-chloro-4-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde;4-ethoxy-5-methoxybenzene-1,2-diamine;6-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-2-methyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;1-ethoxy-2-methoxy-4,5-dinitrobenzene;(1S)-1-pyrimidin-2-ylethanamine;sulfane (PubChem CID 157167850) has the molecular formula C105H113Cl3N28O21S and a molecular weight of 2241.66 g/mol. Its IUPAC name is 7-chloro-6-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-4-[(4-methoxyphenyl)methyl]-2-methylpyrazolo[4,3-b]pyridin-5-one;7-chloro-6-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-2-methyl-4H-pyrazolo[4,3-b]pyridin-5-one;7-chloro-4-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde;4-ethoxy-5-methoxybenzene-1,2-diamine;6-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-2-methyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;1-ethoxy-2-methoxy-4,5-dinitrobenzene;(1S)-1-pyrimidin-2-ylethanamine;sulfane.

Molecular Properties

• Compound Name: 7-chloro-6-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-4-[(4-methoxyphenyl)methyl]-2-methylpyrazolo[4,3-b]pyridin-5-one;7-chloro-6-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-2-methyl-4H-pyrazolo[4,3-b]pyridin-5-one;7-chloro-4-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde;4-ethoxy-5-methoxybenzene-1,2-diamine;6-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-2-methyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;1-ethoxy-2-methoxy-4,5-dinitrobenzene;(1S)-1-pyrimidin-2-ylethanamine;sulfane
• PubChem CID: 157167850
• Molecular Formula: C105H113Cl3N28O21S
• Molecular Weight: 2241.66 g/mol
• Exact Mass: 2238.74
• IUPAC Name: 7-chloro-6-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-4-[(4-methoxyphenyl)methyl]-2-methylpyrazolo[4,3-b]pyridin-5-one;7-chloro-6-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-2-methyl-4H-pyrazolo[4,3-b]pyridin-5-one;7-chloro-4-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde;4-ethoxy-5-methoxybenzene-1,2-diamine;6-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-2-methyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;1-ethoxy-2-methoxy-4,5-dinitrobenzene;(1S)-1-pyrimidin-2-ylethanamine;sulfane
• SMILES: CCOc1cc(N)c(N)cc1OC.CCOc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1OC.CCOc1cc2[nH]c(-c3c(Cl)c4nn(C)cc4[nH]c3=O)nc2cc1OC.CCOc1cc2[nH]c(-c3c(Cl)c4nn(C)cc4n(Cc4ccc(OC)cc4)c3=O)nc2cc1OC.CCOc1cc2[nH]c(-c3c(N[C@@H](C)c4ncccn4)c4nn(C)cc4[nH]c3=O)nc2cc1OC.COc1ccc(Cn2c(=O)c(C=O)c(Cl)c3nn(C)cc32)cc1.C[C@H](N)c1ncccn1.S
• InChI: InChI=1S/C25H24ClN5O4.C23H24N8O3.C17H16ClN5O3.C16H14ClN3O3.C9H10N2O6.C9H14N2O2.C6H9N3.H2S/c1-5-35-20-11-17-16(10-19(20)34-4)27-24(28-17)21-22(26)23-18(13-30(2)29-23)31(25(21)32)12-14-6-8-15(33-3)9-7-14;1-5-34-17-10-14-13(9-16(17)33-4)27-22(28-14)18-20(26-12(2)21-24-7-6-8-25-21)19-15(29-23(18)32)11-31(3)30-19;1-4-26-12-6-9-8(5-11(12)25-3)19-16(20-9)13-14(18)15-10(21-17(13)24)7-23(2)22-15;1-19-8-13-15(18-19)14(17)12(9-21)16(22)20(13)7-10-3-5-11(23-2)6-4-10;1-3-17-9-5-7(11(14)15)6(10(12)13)4-8(9)16-2;1-3-13-9-5-7(11)6(10)4-8(9)12-2;1-5(7)6-8-3-2-4-9-6;/h6-11,13H,5,12H2,1-4H3,(H,27,28);6-12,26H,5H2,1-4H3,(H,27,28)(H,29,32);5-7H,4H2,1-3H3,(H,19,20)(H,21,24);3-6,8-9H,7H2,1-2H3;4-5H,3H2,1-2H3;4-5H,3,10-11H2,1-2H3;2-5H,7H2,1H3;1H2/t;12-;;;;;5-;/m.0....0./s1
• InChIKey: ANCXKAJHFUWBAZ-UFMHQSEASA-N
• XLogP: 16.47
• TPSA: 622.80 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 42
• Rotatable Bonds: 31
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2241.66
LogP ≤ 5	16.47
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-4-[(4-methoxyphenyl)methyl]-2-methylpyrazolo[4,3-b]pyridin-5-one;7-chloro-6-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-2-methyl-4H-pyrazolo[4,3-b]pyridin-5-one;7-chloro-4-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde;4-ethoxy-5-methoxybenzene-1,2-diamine;6-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-2-methyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;1-ethoxy-2-methoxy-4,5-dinitrobenzene;(1S)-1-pyrimidin-2-ylethanamine;sulfane?

The IUPAC name of 7-chloro-6-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-4-[(4-methoxyphenyl)methyl]-2-methylpyrazolo[4,3-b]pyridin-5-one;7-chloro-6-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-2-methyl-4H-pyrazolo[4,3-b]pyridin-5-one;7-chloro-4-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde;4-ethoxy-5-methoxybenzene-1,2-diamine;6-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-2-methyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;1-ethoxy-2-methoxy-4,5-dinitrobenzene;(1S)-1-pyrimidin-2-ylethanamine;sulfane (CID 157167850) is 7-chloro-6-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-4-[(4-methoxyphenyl)methyl]-2-methylpyrazolo[4,3-b]pyridin-5-one;7-chloro-6-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-2-methyl-4H-pyrazolo[4,3-b]pyridin-5-one;7-chloro-4-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde;4-ethoxy-5-methoxybenzene-1,2-diamine;6-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-2-methyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;1-ethoxy-2-methoxy-4,5-dinitrobenzene;(1S)-1-pyrimidin-2-ylethanamine;sulfane.

What is the SMILES notation for 7-chloro-6-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-4-[(4-methoxyphenyl)methyl]-2-methylpyrazolo[4,3-b]pyridin-5-one;7-chloro-6-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-2-methyl-4H-pyrazolo[4,3-b]pyridin-5-one;7-chloro-4-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde;4-ethoxy-5-methoxybenzene-1,2-diamine;6-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-2-methyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;1-ethoxy-2-methoxy-4,5-dinitrobenzene;(1S)-1-pyrimidin-2-ylethanamine;sulfane?

The canonical SMILES for 7-chloro-6-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-4-[(4-methoxyphenyl)methyl]-2-methylpyrazolo[4,3-b]pyridin-5-one;7-chloro-6-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-2-methyl-4H-pyrazolo[4,3-b]pyridin-5-one;7-chloro-4-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde;4-ethoxy-5-methoxybenzene-1,2-diamine;6-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-2-methyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;1-ethoxy-2-methoxy-4,5-dinitrobenzene;(1S)-1-pyrimidin-2-ylethanamine;sulfane is CCOc1cc(N)c(N)cc1OC.CCOc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1OC.CCOc1cc2[nH]c(-c3c(Cl)c4nn(C)cc4[nH]c3=O)nc2cc1OC.CCOc1cc2[nH]c(-c3c(Cl)c4nn(C)cc4n(Cc4ccc(OC)cc4)c3=O)nc2cc1OC.CCOc1cc2[nH]c(-c3c(N[C@@H](C)c4ncccn4)c4nn(C)cc4[nH]c3=O)nc2cc1OC.COc1ccc(Cn2c(=O)c(C=O)c(Cl)c3nn(C)cc32)cc1.C[C@H](N)c1ncccn1.S.

What is the InChIKey of 7-chloro-6-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-4-[(4-methoxyphenyl)methyl]-2-methylpyrazolo[4,3-b]pyridin-5-one;7-chloro-6-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-2-methyl-4H-pyrazolo[4,3-b]pyridin-5-one;7-chloro-4-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde;4-ethoxy-5-methoxybenzene-1,2-diamine;6-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-2-methyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;1-ethoxy-2-methoxy-4,5-dinitrobenzene;(1S)-1-pyrimidin-2-ylethanamine;sulfane?

The InChIKey is ANCXKAJHFUWBAZ-UFMHQSEASA-N. The full InChI is InChI=1S/C25H24ClN5O4.C23H24N8O3.C17H16ClN5O3.C16H14ClN3O3.C9H10N2O6.C9H14N2O2.C6H9N3.H2S/c1-5-35-20-11-17-16(10-19(20)34-4)27-24(28-17)21-22(26)23-18(13-30(2)29-23)31(25(21)32)12-14-6-8-15(33-3)9-7-14;1-5-34-17-10-14-13(9-16(17)33-4)27-22(28-14)18-20(26-12(2)21-24-7-6-8-25-21)19-15(29-23(18)32)11-31(3)30-19;1-4-26-12-6-9-8(5-11(12)25-3)19-16(20-9)13-14(18)15-10(21-17(13)24)7-23(2)22-15;1-19-8-13-15(18-19)14(17)12(9-21)16(22)20(13)7-10-3-5-11(23-2)6-4-10;1-3-17-9-5-7(11(14)15)6(10(12)13)4-8(9)16-2;1-3-13-9-5-7(11)6(10)4-8(9)12-2;1-5(7)6-8-3-2-4-9-6;/h6-11,13H,5,12H2,1-4H3,(H,27,28);6-12,26H,5H2,1-4H3,(H,27,28)(H,29,32);5-7H,4H2,1-3H3,(H,19,20)(H,21,24);3-6,8-9H,7H2,1-2H3;4-5H,3H2,1-2H3;4-5H,3,10-11H2,1-2H3;2-5H,7H2,1H3;1H2/t;12-;;;;;5-;/m.0....0./s1.

What are the key properties of 7-chloro-6-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-4-[(4-methoxyphenyl)methyl]-2-methylpyrazolo[4,3-b]pyridin-5-one;7-chloro-6-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-2-methyl-4H-pyrazolo[4,3-b]pyridin-5-one;7-chloro-4-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde;4-ethoxy-5-methoxybenzene-1,2-diamine;6-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-2-methyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;1-ethoxy-2-methoxy-4,5-dinitrobenzene;(1S)-1-pyrimidin-2-ylethanamine;sulfane?

7-chloro-6-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-4-[(4-methoxyphenyl)methyl]-2-methylpyrazolo[4,3-b]pyridin-5-one;7-chloro-6-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-2-methyl-4H-pyrazolo[4,3-b]pyridin-5-one;7-chloro-4-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde;4-ethoxy-5-methoxybenzene-1,2-diamine;6-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-2-methyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;1-ethoxy-2-methoxy-4,5-dinitrobenzene;(1S)-1-pyrimidin-2-ylethanamine;sulfane has a molecular weight of 2241.66 g/mol, XLogP of 16.47, 31 rotatable bonds, 9 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-6-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-4-[(4-methoxyphenyl)methyl]-2-methylpyrazolo[4,3-b]pyridin-5-one;7-chloro-6-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-2-methyl-4H-pyrazolo[4,3-b]pyridin-5-one;7-chloro-4-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde;4-ethoxy-5-methoxybenzene-1,2-diamine;6-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-2-methyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;1-ethoxy-2-methoxy-4,5-dinitrobenzene;(1S)-1-pyrimidin-2-ylethanamine;sulfane is sourced from PubChem (CID 157167850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).