7-(2-ethoxyethyl)-3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one;4-(6-ethoxy-3-pyridinyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one

C75H64F4N22O5 — CID 159782575

IUPAC7-(2-ethoxyethyl)-3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one;4-(6-ethoxy-3-pyridinyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC1(C)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc(-c3ccn[nH]3)c21.CCOCCC1(C)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4ncc(F)cc34)nnc21.CCOc1ccc(-c2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc3c2C(C)(C)C(=O)N3)cn1
InChIInChI=1S/C28H24FN7O2.C24H19FN8O.C23H21F2N7O2/c1-4-38-20-12-11-16(14-31-20)22-21-24(34-27(37)28(21,2)3)33-25(32-22)23-18-9-7-13-30-26(18)36(35-23)15-17-8-5-6-10-19(17)29;1-24(2)17-19(16-9-11-27-31-16)28-21(29-20(17)30-23(24)34)18-14-7-5-10-26-22(14)33(32-18)12-13-6-3-4-8-15(13)25;1-3-34-9-8-23(2)18-20(28-22(23)33)27-19(30-29-18)17-15-10-14(24)11-26-21(15)32(31-17)12-13-6-4-5-7-16(13)25/h5-14H,4,15H2,1-3H3,(H,32,33,34,37);3-11H,12H2,1-2H3,(H,27,31)(H,28,29,30,34);4-7,10-11H,3,8-9,12H2,1-2H3,(H,27,28,30,33)
InChIKeyNHNSTNYQXDHWSX-UHFFFAOYSA-N
MW1429.48 g/mol
LogP11.71
Rot. Bonds17

About 7-(2-ethoxyethyl)-3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one;4-(6-ethoxy-3-pyridinyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one

7-(2-ethoxyethyl)-3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one;4-(6-ethoxy-3-pyridinyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 159782575) has the molecular formula C75H64F4N22O5 and a molecular weight of 1429.48 g/mol. Its IUPAC name is 7-(2-ethoxyethyl)-3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one;4-(6-ethoxy-3-pyridinyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name7-(2-ethoxyethyl)-3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one;4-(6-ethoxy-3-pyridinyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID159782575
Molecular FormulaC75H64F4N22O5
Molecular Weight1429.48 g/mol
Exact Mass1428.54
IUPAC Name7-(2-ethoxyethyl)-3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one;4-(6-ethoxy-3-pyridinyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC1(C)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc(-c3ccn[nH]3)c21.CCOCCC1(C)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4ncc(F)cc34)nnc21.CCOc1ccc(-c2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc3c2C(C)(C)C(=O)N3)cn1
InChIInChI=1S/C28H24FN7O2.C24H19FN8O.C23H21F2N7O2/c1-4-38-20-12-11-16(14-31-20)22-21-24(34-27(37)28(21,2)3)33-25(32-22)23-18-9-7-13-30-26(18)36(35-23)15-17-8-5-6-10-19(17)29;1-24(2)17-19(16-9-11-27-31-16)28-21(29-20(17)30-23(24)34)18-14-7-5-10-26-22(14)33(32-18)12-13-6-3-4-8-15(13)25;1-3-34-9-8-23(2)18-20(28-22(23)33)27-19(30-29-18)17-15-10-14(24)11-26-21(15)32(31-17)12-13-6-4-5-7-16(13)25/h5-14H,4,15H2,1-3H3,(H,32,33,34,37);3-11H,12H2,1-2H3,(H,27,31)(H,28,29,30,34);4-7,10-11H,3,8-9,12H2,1-2H3,(H,27,28,30,33)
InChIKeyNHNSTNYQXDHWSX-UHFFFAOYSA-N
XLogP11.71
TPSA329.69 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds17
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001429.48
LogP ≤ 511.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 7-(2-ethoxyethyl)-3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one;4-(6-ethoxy-3-pyridinyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(2-ethoxyethyl)-3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one;4-(6-ethoxy-3-pyridinyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 7-(2-ethoxyethyl)-3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one;4-(6-ethoxy-3-pyridinyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one (CID 159782575) is 7-(2-ethoxyethyl)-3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one;4-(6-ethoxy-3-pyridinyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 7-(2-ethoxyethyl)-3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one;4-(6-ethoxy-3-pyridinyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 7-(2-ethoxyethyl)-3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one;4-(6-ethoxy-3-pyridinyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one is CC1(C)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc(-c3ccn[nH]3)c21.CCOCCC1(C)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4ncc(F)cc34)nnc21.CCOc1ccc(-c2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc3c2C(C)(C)C(=O)N3)cn1.
What is the InChIKey of 7-(2-ethoxyethyl)-3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one;4-(6-ethoxy-3-pyridinyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is NHNSTNYQXDHWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN7O2.C24H19FN8O.C23H21F2N7O2/c1-4-38-20-12-11-16(14-31-20)22-21-24(34-27(37)28(21,2)3)33-25(32-22)23-18-9-7-13-30-26(18)36(35-23)15-17-8-5-6-10-19(17)29;1-24(2)17-19(16-9-11-27-31-16)28-21(29-20(17)30-23(24)34)18-14-7-5-10-26-22(14)33(32-18)12-13-6-3-4-8-15(13)25;1-3-34-9-8-23(2)18-20(28-22(23)33)27-19(30-29-18)17-15-10-14(24)11-26-21(15)32(31-17)12-13-6-4-5-7-16(13)25/h5-14H,4,15H2,1-3H3,(H,32,33,34,37);3-11H,12H2,1-2H3,(H,27,31)(H,28,29,30,34);4-7,10-11H,3,8-9,12H2,1-2H3,(H,27,28,30,33).
What are the key properties of 7-(2-ethoxyethyl)-3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one;4-(6-ethoxy-3-pyridinyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one?
7-(2-ethoxyethyl)-3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one;4-(6-ethoxy-3-pyridinyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 1429.48 g/mol, XLogP of 11.71, 17 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-ethoxyethyl)-3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one;4-(6-ethoxy-3-pyridinyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 159782575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).