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;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-methyl-7-[[(1S)-1-pyridin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;6-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]-2-methyl-7-[[(1S)-2-methyl-1-pyrimidin-2-ylpropyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;N,N-dimethyl-2-[2-methyl-7-[[(1S)-2-methyl-1-pyrimidin-2-ylpropyl]amino]-5-oxo-4H-pyrazolo[4,3-b]pyridin-6-yl]-3H-benzimidazole-5-carboxamide;6-(6-methoxy-1H-benzimidazol-2-yl)-2-methyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one

C115H120N42O11 — CID 158466575

About 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;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-methyl-7-[[(1S)-1-pyridin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;6-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]-2-methyl-7-[[(1S)-2-methyl-1-pyrimidin-2-ylpropyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;N,N-dimethyl-2-[2-methyl-7-[[(1S)-2-methyl-1-pyrimidin-2-ylpropyl]amino]-5-oxo-4H-pyrazolo[4,3-b]pyridin-6-yl]-3H-benzimidazole-5-carboxamide;6-(6-methoxy-1H-benzimidazol-2-yl)-2-methyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one

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;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-methyl-7-[[(1S)-1-pyridin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;6-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]-2-methyl-7-[[(1S)-2-methyl-1-pyrimidin-2-ylpropyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;N,N-dimethyl-2-[2-methyl-7-[[(1S)-2-methyl-1-pyrimidin-2-ylpropyl]amino]-5-oxo-4H-pyrazolo[4,3-b]pyridin-6-yl]-3H-benzimidazole-5-carboxamide;6-(6-methoxy-1H-benzimidazol-2-yl)-2-methyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one (PubChem CID 158466575) has the molecular formula C115H120N42O11 and a molecular weight of 2266.51 g/mol. Its IUPAC name is 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;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-methyl-7-[[(1S)-1-pyridin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;6-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]-2-methyl-7-[[(1S)-2-methyl-1-pyrimidin-2-ylpropyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;N,N-dimethyl-2-[2-methyl-7-[[(1S)-2-methyl-1-pyrimidin-2-ylpropyl]amino]-5-oxo-4H-pyrazolo[4,3-b]pyridin-6-yl]-3H-benzimidazole-5-carboxamide;6-(6-methoxy-1H-benzimidazol-2-yl)-2-methyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one.

Molecular Properties

• Compound Name: 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;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-methyl-7-[[(1S)-1-pyridin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;6-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]-2-methyl-7-[[(1S)-2-methyl-1-pyrimidin-2-ylpropyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;N,N-dimethyl-2-[2-methyl-7-[[(1S)-2-methyl-1-pyrimidin-2-ylpropyl]amino]-5-oxo-4H-pyrazolo[4,3-b]pyridin-6-yl]-3H-benzimidazole-5-carboxamide;6-(6-methoxy-1H-benzimidazol-2-yl)-2-methyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one
• PubChem CID: 158466575
• Molecular Formula: C115H120N42O11
• Molecular Weight: 2266.51 g/mol
• Exact Mass: 2265.01
• IUPAC Name: 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;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-methyl-7-[[(1S)-1-pyridin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;6-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]-2-methyl-7-[[(1S)-2-methyl-1-pyrimidin-2-ylpropyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;N,N-dimethyl-2-[2-methyl-7-[[(1S)-2-methyl-1-pyrimidin-2-ylpropyl]amino]-5-oxo-4H-pyrazolo[4,3-b]pyridin-6-yl]-3H-benzimidazole-5-carboxamide;6-(6-methoxy-1H-benzimidazol-2-yl)-2-methyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one
• SMILES: CC(C)[C@H](Nc1c(-c2nc3cc(N(C)C)ncc3[nH]2)c(=O)[nH]c2cn(C)nc12)c1ncccn1.CC(C)[C@H](Nc1c(-c2nc3ccc(C(=O)N(C)C)cc3[nH]2)c(=O)[nH]c2cn(C)nc12)c1ncccn1.CCn1cc2[nH]c(=O)c(-c3nc4cc(OC)c(OC)cc4[nH]3)c(N[C@@H](C)c3ncccn3)c2n1.COc1cc2nc(-c3c(N[C@@H](C)c4ccccn4)c4nn(C)cc4[nH]c3=O)[nH]c2cc1OC.COc1ccc2nc(-c3c(N[C@@H](C)c4ncccn4)c4nn(C)cc4[nH]c3=O)[nH]c2c1
• InChI: InChI=1S/C25H27N9O2.C23H26N10O.C23H24N8O3.C23H23N7O3.C21H20N8O2/c1-13(2)19(23-26-9-6-10-27-23)31-21-18(24(35)30-17-12-34(5)32-20(17)21)22-28-15-8-7-14(11-16(15)29-22)25(36)33(3)4;1-12(2)18(22-24-7-6-8-25-22)30-20-17(23(34)29-15-11-33(5)31-19(15)20)21-27-13-9-16(32(3)4)26-10-14(13)28-21;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;1-12(13-7-5-6-8-24-13)25-21-19(23(31)28-16-11-30(2)29-20(16)21)22-26-14-9-17(32-3)18(33-4)10-15(14)27-22;1-11(19-22-7-4-8-23-19)24-18-16(21(30)27-15-10-29(2)28-17(15)18)20-25-13-6-5-12(31-3)9-14(13)26-20/h6-13,19,31H,1-5H3,(H,28,29)(H,30,35);6-12,18,30H,1-5H3,(H,27,28)(H,29,34);6-12,26H,5H2,1-4H3,(H,27,28)(H,29,32);5-12,25H,1-4H3,(H,26,27)(H,28,31);4-11,24H,1-3H3,(H,25,26)(H,27,30)/t19-;18-;2*12-;11-/m00000/s1
• InChIKey: HFVCEHQKBFQNLE-XWSDAQAYSA-N
• XLogP: 15.41
• TPSA: 655.55 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 42
• Rotatable Bonds: 30
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2266.51
LogP ≤ 5	15.41
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 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;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-methyl-7-[[(1S)-1-pyridin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;6-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]-2-methyl-7-[[(1S)-2-methyl-1-pyrimidin-2-ylpropyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;N,N-dimethyl-2-[2-methyl-7-[[(1S)-2-methyl-1-pyrimidin-2-ylpropyl]amino]-5-oxo-4H-pyrazolo[4,3-b]pyridin-6-yl]-3H-benzimidazole-5-carboxamide;6-(6-methoxy-1H-benzimidazol-2-yl)-2-methyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one?

The IUPAC name of 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;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-methyl-7-[[(1S)-1-pyridin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;6-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]-2-methyl-7-[[(1S)-2-methyl-1-pyrimidin-2-ylpropyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;N,N-dimethyl-2-[2-methyl-7-[[(1S)-2-methyl-1-pyrimidin-2-ylpropyl]amino]-5-oxo-4H-pyrazolo[4,3-b]pyridin-6-yl]-3H-benzimidazole-5-carboxamide;6-(6-methoxy-1H-benzimidazol-2-yl)-2-methyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one (CID 158466575) is 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;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-methyl-7-[[(1S)-1-pyridin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;6-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]-2-methyl-7-[[(1S)-2-methyl-1-pyrimidin-2-ylpropyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;N,N-dimethyl-2-[2-methyl-7-[[(1S)-2-methyl-1-pyrimidin-2-ylpropyl]amino]-5-oxo-4H-pyrazolo[4,3-b]pyridin-6-yl]-3H-benzimidazole-5-carboxamide;6-(6-methoxy-1H-benzimidazol-2-yl)-2-methyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one.

What is the SMILES notation for 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;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-methyl-7-[[(1S)-1-pyridin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;6-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]-2-methyl-7-[[(1S)-2-methyl-1-pyrimidin-2-ylpropyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;N,N-dimethyl-2-[2-methyl-7-[[(1S)-2-methyl-1-pyrimidin-2-ylpropyl]amino]-5-oxo-4H-pyrazolo[4,3-b]pyridin-6-yl]-3H-benzimidazole-5-carboxamide;6-(6-methoxy-1H-benzimidazol-2-yl)-2-methyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one?

The canonical SMILES for 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;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-methyl-7-[[(1S)-1-pyridin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;6-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]-2-methyl-7-[[(1S)-2-methyl-1-pyrimidin-2-ylpropyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;N,N-dimethyl-2-[2-methyl-7-[[(1S)-2-methyl-1-pyrimidin-2-ylpropyl]amino]-5-oxo-4H-pyrazolo[4,3-b]pyridin-6-yl]-3H-benzimidazole-5-carboxamide;6-(6-methoxy-1H-benzimidazol-2-yl)-2-methyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one is CC(C)[C@H](Nc1c(-c2nc3cc(N(C)C)ncc3[nH]2)c(=O)[nH]c2cn(C)nc12)c1ncccn1.CC(C)[C@H](Nc1c(-c2nc3ccc(C(=O)N(C)C)cc3[nH]2)c(=O)[nH]c2cn(C)nc12)c1ncccn1.CCn1cc2[nH]c(=O)c(-c3nc4cc(OC)c(OC)cc4[nH]3)c(N[C@@H](C)c3ncccn3)c2n1.COc1cc2nc(-c3c(N[C@@H](C)c4ccccn4)c4nn(C)cc4[nH]c3=O)[nH]c2cc1OC.COc1ccc2nc(-c3c(N[C@@H](C)c4ncccn4)c4nn(C)cc4[nH]c3=O)[nH]c2c1.

What is the InChIKey of 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;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-methyl-7-[[(1S)-1-pyridin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;6-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]-2-methyl-7-[[(1S)-2-methyl-1-pyrimidin-2-ylpropyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;N,N-dimethyl-2-[2-methyl-7-[[(1S)-2-methyl-1-pyrimidin-2-ylpropyl]amino]-5-oxo-4H-pyrazolo[4,3-b]pyridin-6-yl]-3H-benzimidazole-5-carboxamide;6-(6-methoxy-1H-benzimidazol-2-yl)-2-methyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one?

The InChIKey is HFVCEHQKBFQNLE-XWSDAQAYSA-N. The full InChI is InChI=1S/C25H27N9O2.C23H26N10O.C23H24N8O3.C23H23N7O3.C21H20N8O2/c1-13(2)19(23-26-9-6-10-27-23)31-21-18(24(35)30-17-12-34(5)32-20(17)21)22-28-15-8-7-14(11-16(15)29-22)25(36)33(3)4;1-12(2)18(22-24-7-6-8-25-22)30-20-17(23(34)29-15-11-33(5)31-19(15)20)21-27-13-9-16(32(3)4)26-10-14(13)28-21;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;1-12(13-7-5-6-8-24-13)25-21-19(23(31)28-16-11-30(2)29-20(16)21)22-26-14-9-17(32-3)18(33-4)10-15(14)27-22;1-11(19-22-7-4-8-23-19)24-18-16(21(30)27-15-10-29(2)28-17(15)18)20-25-13-6-5-12(31-3)9-14(13)26-20/h6-13,19,31H,1-5H3,(H,28,29)(H,30,35);6-12,18,30H,1-5H3,(H,27,28)(H,29,34);6-12,26H,5H2,1-4H3,(H,27,28)(H,29,32);5-12,25H,1-4H3,(H,26,27)(H,28,31);4-11,24H,1-3H3,(H,25,26)(H,27,30)/t19-;18-;2*12-;11-/m00000/s1.

What are the key properties of 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;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-methyl-7-[[(1S)-1-pyridin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;6-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]-2-methyl-7-[[(1S)-2-methyl-1-pyrimidin-2-ylpropyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;N,N-dimethyl-2-[2-methyl-7-[[(1S)-2-methyl-1-pyrimidin-2-ylpropyl]amino]-5-oxo-4H-pyrazolo[4,3-b]pyridin-6-yl]-3H-benzimidazole-5-carboxamide;6-(6-methoxy-1H-benzimidazol-2-yl)-2-methyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one?

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;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-methyl-7-[[(1S)-1-pyridin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;6-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]-2-methyl-7-[[(1S)-2-methyl-1-pyrimidin-2-ylpropyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;N,N-dimethyl-2-[2-methyl-7-[[(1S)-2-methyl-1-pyrimidin-2-ylpropyl]amino]-5-oxo-4H-pyrazolo[4,3-b]pyridin-6-yl]-3H-benzimidazole-5-carboxamide;6-(6-methoxy-1H-benzimidazol-2-yl)-2-methyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one has a molecular weight of 2266.51 g/mol, XLogP of 15.41, 30 rotatable bonds, 15 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 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;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-methyl-7-[[(1S)-1-pyridin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;6-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]-2-methyl-7-[[(1S)-2-methyl-1-pyrimidin-2-ylpropyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;N,N-dimethyl-2-[2-methyl-7-[[(1S)-2-methyl-1-pyrimidin-2-ylpropyl]amino]-5-oxo-4H-pyrazolo[4,3-b]pyridin-6-yl]-3H-benzimidazole-5-carboxamide;6-(6-methoxy-1H-benzimidazol-2-yl)-2-methyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one is sourced from PubChem (CID 158466575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).