7-chloro-6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-4-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-5-one;7-chloro-6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-4H-pyrazolo[4,3-b]pyridin-5-one;7-chloro-2-ethyl-4-[(4-methoxyphenyl)methyl]-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde;4,5-dimethoxybenzene-1,2-diamine;bis(6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one);methyl thiohypofluorite;(1S)-1-pyrimidin-2-ylethanamine;sulfane;hydrochloride

C120H135Cl4FN34O18S4 — CID 159112435

About 7-chloro-6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-4-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-5-one;7-chloro-6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-4H-pyrazolo[4,3-b]pyridin-5-one;7-chloro-2-ethyl-4-[(4-methoxyphenyl)methyl]-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde;4,5-dimethoxybenzene-1,2-diamine;bis(6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one);methyl thiohypofluorite;(1S)-1-pyrimidin-2-ylethanamine;sulfane;hydrochloride

7-chloro-6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-4-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-5-one;7-chloro-6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-4H-pyrazolo[4,3-b]pyridin-5-one;7-chloro-2-ethyl-4-[(4-methoxyphenyl)methyl]-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde;4,5-dimethoxybenzene-1,2-diamine;bis(6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one);methyl thiohypofluorite;(1S)-1-pyrimidin-2-ylethanamine;sulfane;hydrochloride (PubChem CID 159112435) has the molecular formula C120H135Cl4FN34O18S4 and a molecular weight of 2630.70 g/mol. Its IUPAC name is 7-chloro-6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-4-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-5-one;7-chloro-6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-4H-pyrazolo[4,3-b]pyridin-5-one;7-chloro-2-ethyl-4-[(4-methoxyphenyl)methyl]-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde;4,5-dimethoxybenzene-1,2-diamine;bis(6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one);methyl thiohypofluorite;(1S)-1-pyrimidin-2-ylethanamine;sulfane;hydrochloride.

Molecular Properties

• Compound Name: 7-chloro-6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-4-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-5-one;7-chloro-6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-4H-pyrazolo[4,3-b]pyridin-5-one;7-chloro-2-ethyl-4-[(4-methoxyphenyl)methyl]-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde;4,5-dimethoxybenzene-1,2-diamine;bis(6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one);methyl thiohypofluorite;(1S)-1-pyrimidin-2-ylethanamine;sulfane;hydrochloride
• PubChem CID: 159112435
• Molecular Formula: C120H135Cl4FN34O18S4
• Molecular Weight: 2630.70 g/mol
• Exact Mass: 2626.83
• IUPAC Name: 7-chloro-6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-4-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-5-one;7-chloro-6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-4H-pyrazolo[4,3-b]pyridin-5-one;7-chloro-2-ethyl-4-[(4-methoxyphenyl)methyl]-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde;4,5-dimethoxybenzene-1,2-diamine;bis(6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one);methyl thiohypofluorite;(1S)-1-pyrimidin-2-ylethanamine;sulfane;hydrochloride
• SMILES: CCn1cc2[nH]c(=O)c(-c3nc4cc(OC)c(OC)cc4[nH]3)c(Cl)c2n1.CCn1cc2[nH]c(=O)c(-c3nc4cc(OC)c(OC)cc4[nH]3)c(N[C@@H](C)c3ncccn3)c2n1.CCn1cc2[nH]c(=O)c(-c3nc4cc(OC)c(OC)cc4[nH]3)c(N[C@@H](C)c3ncccn3)c2n1.CCn1cc2c(n1)c(Cl)c(-c1nc3cc(OC)c(OC)cc3[nH]1)c(=O)n2Cc1ccc(OC)cc1.CCn1cc2c(n1)c(Cl)c(C=O)c(=O)n2Cc1ccc(OC)cc1.COc1cc(N)c(N)cc1OC.CSF.C[C@H](N)c1ncccn1.Cl.S.S.S
• InChI: InChI=1S/C25H24ClN5O4.2C23H24N8O3.C17H16ClN5O3.C17H16ClN3O3.C8H12N2O2.C6H9N3.CH3FS.ClH.3H2S/c1-5-30-13-18-23(29-30)22(26)21(25(32)31(18)12-14-6-8-15(33-2)9-7-14)24-27-16-10-19(34-3)20(35-4)11-17(16)28-24;2*1-5-31-11-15-19(30-31)20(26-12(2)21-24-7-6-8-25-21)18(23(32)29-15)22-27-13-9-16(33-3)17(34-4)10-14(13)28-22;1-4-23-7-10-15(22-23)14(18)13(17(24)21-10)16-19-8-5-11(25-2)12(26-3)6-9(8)20-16;1-3-20-9-14-16(19-20)15(18)13(10-22)17(23)21(14)8-11-4-6-12(24-2)7-5-11;1-11-7-3-5(9)6(10)4-8(7)12-2;1-5(7)6-8-3-2-4-9-6;1-3-2;;;;/h6-11,13H,5,12H2,1-4H3,(H,27,28);2*6-12,26H,5H2,1-4H3,(H,27,28)(H,29,32);5-7H,4H2,1-3H3,(H,19,20)(H,21,24);4-7,9-10H,3,8H2,1-2H3;3-4H,9-10H2,1-2H3;2-5H,7H2,1H3;1H3;1H;3*1H2/t;2*12-;;;;5-;;;;;/m.00...0...../s1
• InChIKey: JWDKDMPLPHRAKX-IWCHWXBTSA-N
• XLogP: 20.08
• TPSA: 653.69 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 46
• Rotatable Bonds: 33
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2630.70
LogP ≤ 5	20.08
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-4-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-5-one;7-chloro-6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-4H-pyrazolo[4,3-b]pyridin-5-one;7-chloro-2-ethyl-4-[(4-methoxyphenyl)methyl]-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde;4,5-dimethoxybenzene-1,2-diamine;bis(6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one);methyl thiohypofluorite;(1S)-1-pyrimidin-2-ylethanamine;sulfane;hydrochloride?

The IUPAC name of 7-chloro-6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-4-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-5-one;7-chloro-6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-4H-pyrazolo[4,3-b]pyridin-5-one;7-chloro-2-ethyl-4-[(4-methoxyphenyl)methyl]-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde;4,5-dimethoxybenzene-1,2-diamine;bis(6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one);methyl thiohypofluorite;(1S)-1-pyrimidin-2-ylethanamine;sulfane;hydrochloride (CID 159112435) is 7-chloro-6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-4-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-5-one;7-chloro-6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-4H-pyrazolo[4,3-b]pyridin-5-one;7-chloro-2-ethyl-4-[(4-methoxyphenyl)methyl]-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde;4,5-dimethoxybenzene-1,2-diamine;bis(6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one);methyl thiohypofluorite;(1S)-1-pyrimidin-2-ylethanamine;sulfane;hydrochloride.

What is the SMILES notation for 7-chloro-6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-4-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-5-one;7-chloro-6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-4H-pyrazolo[4,3-b]pyridin-5-one;7-chloro-2-ethyl-4-[(4-methoxyphenyl)methyl]-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde;4,5-dimethoxybenzene-1,2-diamine;bis(6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one);methyl thiohypofluorite;(1S)-1-pyrimidin-2-ylethanamine;sulfane;hydrochloride?

The canonical SMILES for 7-chloro-6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-4-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-5-one;7-chloro-6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-4H-pyrazolo[4,3-b]pyridin-5-one;7-chloro-2-ethyl-4-[(4-methoxyphenyl)methyl]-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde;4,5-dimethoxybenzene-1,2-diamine;bis(6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one);methyl thiohypofluorite;(1S)-1-pyrimidin-2-ylethanamine;sulfane;hydrochloride is CCn1cc2[nH]c(=O)c(-c3nc4cc(OC)c(OC)cc4[nH]3)c(Cl)c2n1.CCn1cc2[nH]c(=O)c(-c3nc4cc(OC)c(OC)cc4[nH]3)c(N[C@@H](C)c3ncccn3)c2n1.CCn1cc2[nH]c(=O)c(-c3nc4cc(OC)c(OC)cc4[nH]3)c(N[C@@H](C)c3ncccn3)c2n1.CCn1cc2c(n1)c(Cl)c(-c1nc3cc(OC)c(OC)cc3[nH]1)c(=O)n2Cc1ccc(OC)cc1.CCn1cc2c(n1)c(Cl)c(C=O)c(=O)n2Cc1ccc(OC)cc1.COc1cc(N)c(N)cc1OC.CSF.C[C@H](N)c1ncccn1.Cl.S.S.S.

What is the InChIKey of 7-chloro-6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-4-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-5-one;7-chloro-6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-4H-pyrazolo[4,3-b]pyridin-5-one;7-chloro-2-ethyl-4-[(4-methoxyphenyl)methyl]-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde;4,5-dimethoxybenzene-1,2-diamine;bis(6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one);methyl thiohypofluorite;(1S)-1-pyrimidin-2-ylethanamine;sulfane;hydrochloride?

The InChIKey is JWDKDMPLPHRAKX-IWCHWXBTSA-N. The full InChI is InChI=1S/C25H24ClN5O4.2C23H24N8O3.C17H16ClN5O3.C17H16ClN3O3.C8H12N2O2.C6H9N3.CH3FS.ClH.3H2S/c1-5-30-13-18-23(29-30)22(26)21(25(32)31(18)12-14-6-8-15(33-2)9-7-14)24-27-16-10-19(34-3)20(35-4)11-17(16)28-24;2*1-5-31-11-15-19(30-31)20(26-12(2)21-24-7-6-8-25-21)18(23(32)29-15)22-27-13-9-16(33-3)17(34-4)10-14(13)28-22;1-4-23-7-10-15(22-23)14(18)13(17(24)21-10)16-19-8-5-11(25-2)12(26-3)6-9(8)20-16;1-3-20-9-14-16(19-20)15(18)13(10-22)17(23)21(14)8-11-4-6-12(24-2)7-5-11;1-11-7-3-5(9)6(10)4-8(7)12-2;1-5(7)6-8-3-2-4-9-6;1-3-2;;;;/h6-11,13H,5,12H2,1-4H3,(H,27,28);2*6-12,26H,5H2,1-4H3,(H,27,28)(H,29,32);5-7H,4H2,1-3H3,(H,19,20)(H,21,24);4-7,9-10H,3,8H2,1-2H3;3-4H,9-10H2,1-2H3;2-5H,7H2,1H3;1H3;1H;3*1H2/t;2*12-;;;;5-;;;;;/m.00...0...../s1.

What are the key properties of 7-chloro-6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-4-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-5-one;7-chloro-6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-4H-pyrazolo[4,3-b]pyridin-5-one;7-chloro-2-ethyl-4-[(4-methoxyphenyl)methyl]-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde;4,5-dimethoxybenzene-1,2-diamine;bis(6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one);methyl thiohypofluorite;(1S)-1-pyrimidin-2-ylethanamine;sulfane;hydrochloride?

7-chloro-6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-4-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-5-one;7-chloro-6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-4H-pyrazolo[4,3-b]pyridin-5-one;7-chloro-2-ethyl-4-[(4-methoxyphenyl)methyl]-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde;4,5-dimethoxybenzene-1,2-diamine;bis(6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one);methyl thiohypofluorite;(1S)-1-pyrimidin-2-ylethanamine;sulfane;hydrochloride has a molecular weight of 2630.70 g/mol, XLogP of 20.08, 33 rotatable bonds, 12 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-4-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-5-one;7-chloro-6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-4H-pyrazolo[4,3-b]pyridin-5-one;7-chloro-2-ethyl-4-[(4-methoxyphenyl)methyl]-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde;4,5-dimethoxybenzene-1,2-diamine;bis(6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one);methyl thiohypofluorite;(1S)-1-pyrimidin-2-ylethanamine;sulfane;hydrochloride is sourced from PubChem (CID 159112435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).