ethyl 5-[2-fluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxylate;ethyl 5-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxylate;5-[2-fluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide;5-[2-fluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxylic acid;7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3S)-oxolan-3-yl]-4,5-dihydropyrazolo[4,5-c]quinolin-4-ol

C112H123BF4N16O19 — CID 160809081

About ethyl 5-[2-fluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxylate;ethyl 5-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxylate;5-[2-fluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide;5-[2-fluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxylic acid;7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3S)-oxolan-3-yl]-4,5-dihydropyrazolo[4,5-c]quinolin-4-ol

ethyl 5-[2-fluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxylate;ethyl 5-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxylate;5-[2-fluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide;5-[2-fluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxylic acid;7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3S)-oxolan-3-yl]-4,5-dihydropyrazolo[4,5-c]quinolin-4-ol (PubChem CID 160809081) has the molecular formula C112H123BF4N16O19 and a molecular weight of 2084.11 g/mol. Its IUPAC name is ethyl 5-[2-fluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxylate;ethyl 5-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxylate;5-[2-fluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide;5-[2-fluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxylic acid;7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3S)-oxolan-3-yl]-4,5-dihydropyrazolo[4,5-c]quinolin-4-ol.

Molecular Properties

• Compound Name: ethyl 5-[2-fluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxylate;ethyl 5-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxylate;5-[2-fluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide;5-[2-fluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxylic acid;7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3S)-oxolan-3-yl]-4,5-dihydropyrazolo[4,5-c]quinolin-4-ol
• PubChem CID: 160809081
• Molecular Formula: C112H123BF4N16O19
• Molecular Weight: 2084.11 g/mol
• Exact Mass: 2082.92
• IUPAC Name: ethyl 5-[2-fluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxylate;ethyl 5-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxylate;5-[2-fluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide;5-[2-fluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxylic acid;7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3S)-oxolan-3-yl]-4,5-dihydropyrazolo[4,5-c]quinolin-4-ol
• SMILES: CCOC(=O)c1cnn([C@H]2CCOC2)c1-c1ccc(-c2c(C)cnc(OC)c2C)cc1F.CCOC(=O)c1cnn([C@H]2CCOC2)c1-c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F.COc1ncc(C)c(-c2ccc(-c3c(C(=O)O)cnn3[C@H]3CCOC3)c(F)c2)c1C.COc1ncc(C)c(-c2ccc(-c3c(C(N)=O)cnn3[C@H]3CCOC3)c(F)c2)c1C.COc1ncc(C)c(-c2ccc3c(c2)NC(O)c2cnn([C@H]4CCOC4)c2-3)c1C
• InChI: InChI=1S/C24H26FN3O4.C22H28BFN2O5.C22H23FN4O3.C22H22FN3O4.C22H24N4O3/c1-5-32-24(29)19-12-27-28(17-8-9-31-13-17)22(19)18-7-6-16(10-20(18)25)21-14(2)11-26-23(30-4)15(21)3;1-6-29-20(27)17-12-25-26(15-9-10-28-13-15)19(17)16-8-7-14(11-18(16)24)23-30-21(2,3)22(4,5)31-23;1-12-9-25-22(29-3)13(2)19(12)14-4-5-16(18(23)8-14)20-17(21(24)28)10-26-27(20)15-6-7-30-11-15;1-12-9-24-21(29-3)13(2)19(12)14-4-5-16(18(23)8-14)20-17(22(27)28)10-25-26(20)15-6-7-30-11-15;1-12-9-23-22(28-3)13(2)19(12)14-4-5-16-18(8-14)25-21(27)17-10-24-26(20(16)17)15-6-7-29-11-15/h6-7,10-12,17H,5,8-9,13H2,1-4H3;7-8,11-12,15H,6,9-10,13H2,1-5H3;4-5,8-10,15H,6-7,11H2,1-3H3,(H2,24,28);4-5,8-10,15H,6-7,11H2,1-3H3,(H,27,28);4-5,8-10,15,21,25,27H,6-7,11H2,1-3H3/t17-;3*15-;15-,21?/m00000/s1
• InChIKey: SEBRMXAIUZJJHW-OSYVSDENSA-N
• XLogP: 18.73
• TPSA: 407.44 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 33
• Rotatable Bonds: 24
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2084.11
LogP ≤ 5	18.73
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-fluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxylate;ethyl 5-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxylate;5-[2-fluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide;5-[2-fluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxylic acid;7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3S)-oxolan-3-yl]-4,5-dihydropyrazolo[4,5-c]quinolin-4-ol?

The IUPAC name of ethyl 5-[2-fluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxylate;ethyl 5-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxylate;5-[2-fluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide;5-[2-fluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxylic acid;7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3S)-oxolan-3-yl]-4,5-dihydropyrazolo[4,5-c]quinolin-4-ol (CID 160809081) is ethyl 5-[2-fluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxylate;ethyl 5-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxylate;5-[2-fluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide;5-[2-fluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxylic acid;7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3S)-oxolan-3-yl]-4,5-dihydropyrazolo[4,5-c]quinolin-4-ol.

What is the SMILES notation for ethyl 5-[2-fluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxylate;ethyl 5-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxylate;5-[2-fluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide;5-[2-fluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxylic acid;7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3S)-oxolan-3-yl]-4,5-dihydropyrazolo[4,5-c]quinolin-4-ol?

The canonical SMILES for ethyl 5-[2-fluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxylate;ethyl 5-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxylate;5-[2-fluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide;5-[2-fluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxylic acid;7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3S)-oxolan-3-yl]-4,5-dihydropyrazolo[4,5-c]quinolin-4-ol is CCOC(=O)c1cnn([C@H]2CCOC2)c1-c1ccc(-c2c(C)cnc(OC)c2C)cc1F.CCOC(=O)c1cnn([C@H]2CCOC2)c1-c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F.COc1ncc(C)c(-c2ccc(-c3c(C(=O)O)cnn3[C@H]3CCOC3)c(F)c2)c1C.COc1ncc(C)c(-c2ccc(-c3c(C(N)=O)cnn3[C@H]3CCOC3)c(F)c2)c1C.COc1ncc(C)c(-c2ccc3c(c2)NC(O)c2cnn([C@H]4CCOC4)c2-3)c1C.

What is the InChIKey of ethyl 5-[2-fluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxylate;ethyl 5-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxylate;5-[2-fluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide;5-[2-fluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxylic acid;7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3S)-oxolan-3-yl]-4,5-dihydropyrazolo[4,5-c]quinolin-4-ol?

The InChIKey is SEBRMXAIUZJJHW-OSYVSDENSA-N. The full InChI is InChI=1S/C24H26FN3O4.C22H28BFN2O5.C22H23FN4O3.C22H22FN3O4.C22H24N4O3/c1-5-32-24(29)19-12-27-28(17-8-9-31-13-17)22(19)18-7-6-16(10-20(18)25)21-14(2)11-26-23(30-4)15(21)3;1-6-29-20(27)17-12-25-26(15-9-10-28-13-15)19(17)16-8-7-14(11-18(16)24)23-30-21(2,3)22(4,5)31-23;1-12-9-25-22(29-3)13(2)19(12)14-4-5-16(18(23)8-14)20-17(21(24)28)10-26-27(20)15-6-7-30-11-15;1-12-9-24-21(29-3)13(2)19(12)14-4-5-16(18(23)8-14)20-17(22(27)28)10-25-26(20)15-6-7-30-11-15;1-12-9-23-22(28-3)13(2)19(12)14-4-5-16-18(8-14)25-21(27)17-10-24-26(20(16)17)15-6-7-29-11-15/h6-7,10-12,17H,5,8-9,13H2,1-4H3;7-8,11-12,15H,6,9-10,13H2,1-5H3;4-5,8-10,15H,6-7,11H2,1-3H3,(H2,24,28);4-5,8-10,15H,6-7,11H2,1-3H3,(H,27,28);4-5,8-10,15,21,25,27H,6-7,11H2,1-3H3/t17-;3*15-;15-,21?/m00000/s1.

What are the key properties of ethyl 5-[2-fluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxylate;ethyl 5-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxylate;5-[2-fluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide;5-[2-fluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxylic acid;7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3S)-oxolan-3-yl]-4,5-dihydropyrazolo[4,5-c]quinolin-4-ol?

ethyl 5-[2-fluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxylate;ethyl 5-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxylate;5-[2-fluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide;5-[2-fluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxylic acid;7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3S)-oxolan-3-yl]-4,5-dihydropyrazolo[4,5-c]quinolin-4-ol has a molecular weight of 2084.11 g/mol, XLogP of 18.73, 24 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-[2-fluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxylate;ethyl 5-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxylate;5-[2-fluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide;5-[2-fluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxylic acid;7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3S)-oxolan-3-yl]-4,5-dihydropyrazolo[4,5-c]quinolin-4-ol is sourced from PubChem (CID 160809081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).