[2-[4-(1,2-dimethylimidazol-4-yl)-2-fluorophenyl]-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-[2-fluoro-4-(2-fluoro-3-pyridinyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-[2-fluoro-4-(5-fluoro-3-pyridinyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone

C107H114F6N22O4 — CID 159157084

About [2-[4-(1,2-dimethylimidazol-4-yl)-2-fluorophenyl]-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-[2-fluoro-4-(2-fluoro-3-pyridinyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-[2-fluoro-4-(5-fluoro-3-pyridinyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone

[2-[4-(1,2-dimethylimidazol-4-yl)-2-fluorophenyl]-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-[2-fluoro-4-(2-fluoro-3-pyridinyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-[2-fluoro-4-(5-fluoro-3-pyridinyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone (PubChem CID 159157084) has the molecular formula C107H114F6N22O4 and a molecular weight of 1886.23 g/mol. Its IUPAC name is [2-[4-(1,2-dimethylimidazol-4-yl)-2-fluorophenyl]-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-[2-fluoro-4-(2-fluoro-3-pyridinyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-[2-fluoro-4-(5-fluoro-3-pyridinyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone.

Molecular Properties

• Compound Name: [2-[4-(1,2-dimethylimidazol-4-yl)-2-fluorophenyl]-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-[2-fluoro-4-(2-fluoro-3-pyridinyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-[2-fluoro-4-(5-fluoro-3-pyridinyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone
• PubChem CID: 159157084
• Molecular Formula: C107H114F6N22O4
• Molecular Weight: 1886.23 g/mol
• Exact Mass: 1884.93
• IUPAC Name: [2-[4-(1,2-dimethylimidazol-4-yl)-2-fluorophenyl]-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-[2-fluoro-4-(2-fluoro-3-pyridinyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-[2-fluoro-4-(5-fluoro-3-pyridinyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone
• SMILES: CCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccc(-c4cccnc4F)cc3F)nn12.CCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccc(-c4cn(C)c(C)n4)cc3F)nn12.CCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccc(-c4cncc(F)c4)cc3F)nn12.CCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccc(-c4cnn(C)c4)cc3F)nn12
• InChI: InChI=1S/2C27H27F2N5O.C27H31FN6O.C26H29FN6O/c1-3-19-15-24(27(35)33-13-6-4-5-8-17(33)2)31-25-16-23(32-34(19)25)21-11-10-18(14-22(21)28)20-9-7-12-30-26(20)29;1-3-21-13-25(27(35)33-10-6-4-5-7-17(33)2)31-26-14-24(32-34(21)26)22-9-8-18(12-23(22)29)19-11-20(28)16-30-15-19;1-5-20-14-24(27(35)33-12-8-6-7-9-17(33)2)30-26-15-23(31-34(20)26)21-11-10-19(13-22(21)28)25-16-32(4)18(3)29-25;1-4-20-13-24(26(34)32-11-7-5-6-8-17(32)2)29-25-14-23(30-33(20)25)21-10-9-18(12-22(21)27)19-15-28-31(3)16-19/h7,9-12,14-17H,3-6,8,13H2,1-2H3;8-9,11-17H,3-7,10H2,1-2H3;10-11,13-17H,5-9,12H2,1-4H3;9-10,12-17H,4-8,11H2,1-3H3
• InChIKey: KKAHMVNDCMZHJS-UHFFFAOYSA-N
• XLogP: 21.52
• TPSA: 263.42 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 16
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1886.23
LogP ≤ 5	21.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[4-(1,2-dimethylimidazol-4-yl)-2-fluorophenyl]-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-[2-fluoro-4-(2-fluoro-3-pyridinyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-[2-fluoro-4-(5-fluoro-3-pyridinyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone?

The IUPAC name of [2-[4-(1,2-dimethylimidazol-4-yl)-2-fluorophenyl]-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-[2-fluoro-4-(2-fluoro-3-pyridinyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-[2-fluoro-4-(5-fluoro-3-pyridinyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone (CID 159157084) is [2-[4-(1,2-dimethylimidazol-4-yl)-2-fluorophenyl]-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-[2-fluoro-4-(2-fluoro-3-pyridinyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-[2-fluoro-4-(5-fluoro-3-pyridinyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone.

What is the SMILES notation for [2-[4-(1,2-dimethylimidazol-4-yl)-2-fluorophenyl]-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-[2-fluoro-4-(2-fluoro-3-pyridinyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-[2-fluoro-4-(5-fluoro-3-pyridinyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone?

The canonical SMILES for [2-[4-(1,2-dimethylimidazol-4-yl)-2-fluorophenyl]-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-[2-fluoro-4-(2-fluoro-3-pyridinyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-[2-fluoro-4-(5-fluoro-3-pyridinyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone is CCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccc(-c4cccnc4F)cc3F)nn12.CCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccc(-c4cn(C)c(C)n4)cc3F)nn12.CCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccc(-c4cncc(F)c4)cc3F)nn12.CCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccc(-c4cnn(C)c4)cc3F)nn12.

What is the InChIKey of [2-[4-(1,2-dimethylimidazol-4-yl)-2-fluorophenyl]-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-[2-fluoro-4-(2-fluoro-3-pyridinyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-[2-fluoro-4-(5-fluoro-3-pyridinyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone?

The InChIKey is KKAHMVNDCMZHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H27F2N5O.C27H31FN6O.C26H29FN6O/c1-3-19-15-24(27(35)33-13-6-4-5-8-17(33)2)31-25-16-23(32-34(19)25)21-11-10-18(14-22(21)28)20-9-7-12-30-26(20)29;1-3-21-13-25(27(35)33-10-6-4-5-7-17(33)2)31-26-14-24(32-34(21)26)22-9-8-18(12-23(22)29)19-11-20(28)16-30-15-19;1-5-20-14-24(27(35)33-12-8-6-7-9-17(33)2)30-26-15-23(31-34(20)26)21-11-10-19(13-22(21)28)25-16-32(4)18(3)29-25;1-4-20-13-24(26(34)32-11-7-5-6-8-17(32)2)29-25-14-23(30-33(20)25)21-10-9-18(12-22(21)27)19-15-28-31(3)16-19/h7,9-12,14-17H,3-6,8,13H2,1-2H3;8-9,11-17H,3-7,10H2,1-2H3;10-11,13-17H,5-9,12H2,1-4H3;9-10,12-17H,4-8,11H2,1-3H3.

What are the key properties of [2-[4-(1,2-dimethylimidazol-4-yl)-2-fluorophenyl]-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-[2-fluoro-4-(2-fluoro-3-pyridinyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-[2-fluoro-4-(5-fluoro-3-pyridinyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone?

[2-[4-(1,2-dimethylimidazol-4-yl)-2-fluorophenyl]-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-[2-fluoro-4-(2-fluoro-3-pyridinyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-[2-fluoro-4-(5-fluoro-3-pyridinyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone has a molecular weight of 1886.23 g/mol, XLogP of 21.52, 16 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[4-(1,2-dimethylimidazol-4-yl)-2-fluorophenyl]-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-[2-fluoro-4-(2-fluoro-3-pyridinyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-[2-fluoro-4-(5-fluoro-3-pyridinyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone is sourced from PubChem (CID 159157084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).