N-(2-acetamidoethyl)-4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;N-[2-(dimethylamino)ethyl]-4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluoro-N-hydroxybenzamide;4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluoro-N-(2-hydroxyethyl)benzamide;4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluoro-N-propylbenzamide

C128H156F5N27O13 — CID 157119937

About N-(2-acetamidoethyl)-4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;N-[2-(dimethylamino)ethyl]-4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluoro-N-hydroxybenzamide;4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluoro-N-(2-hydroxyethyl)benzamide;4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluoro-N-propylbenzamide

N-(2-acetamidoethyl)-4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;N-[2-(dimethylamino)ethyl]-4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluoro-N-hydroxybenzamide;4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluoro-N-(2-hydroxyethyl)benzamide;4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluoro-N-propylbenzamide (PubChem CID 157119937) has the molecular formula C128H156F5N27O13 and a molecular weight of 2375.82 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;N-[2-(dimethylamino)ethyl]-4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluoro-N-hydroxybenzamide;4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluoro-N-(2-hydroxyethyl)benzamide;4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluoro-N-propylbenzamide.

Molecular Properties

• Compound Name: N-(2-acetamidoethyl)-4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;N-[2-(dimethylamino)ethyl]-4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluoro-N-hydroxybenzamide;4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluoro-N-(2-hydroxyethyl)benzamide;4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluoro-N-propylbenzamide
• PubChem CID: 157119937
• Molecular Formula: C128H156F5N27O13
• Molecular Weight: 2375.82 g/mol
• Exact Mass: 2374.23
• IUPAC Name: N-(2-acetamidoethyl)-4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;N-[2-(dimethylamino)ethyl]-4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluoro-N-hydroxybenzamide;4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluoro-N-(2-hydroxyethyl)benzamide;4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluoro-N-propylbenzamide
• SMILES: CCCNC(=O)c1ccc(-c2cc3nc(C(=O)N4CCCCCC4C)cc(CC)n3n2)c(F)c1.CCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccc(C(=O)NCCN(C)C)cc3F)nn12.CCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccc(C(=O)NCCNC(C)=O)cc3F)nn12.CCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccc(C(=O)NCCO)cc3F)nn12.CCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccc(C(=O)NO)cc3F)nn12
• InChI: InChI=1S/C27H33FN6O3.C27H35FN6O2.C26H32FN5O2.C25H30FN5O3.C23H26FN5O3/c1-4-20-15-24(27(37)33-13-7-5-6-8-17(33)2)31-25-16-23(32-34(20)25)21-10-9-19(14-22(21)28)26(36)30-12-11-29-18(3)35;1-5-20-16-24(27(36)33-13-8-6-7-9-18(33)2)30-25-17-23(31-34(20)25)21-11-10-19(15-22(21)28)26(35)29-12-14-32(3)4;1-4-12-28-25(33)18-10-11-20(21(27)14-18)22-16-24-29-23(15-19(5-2)32(24)30-22)26(34)31-13-8-6-7-9-17(31)3;1-3-18-14-22(25(34)30-11-6-4-5-7-16(30)2)28-23-15-21(29-31(18)23)19-9-8-17(13-20(19)26)24(33)27-10-12-32;1-3-16-12-20(23(31)28-10-6-4-5-7-14(28)2)25-21-13-19(26-29(16)21)17-9-8-15(11-18(17)24)22(30)27-32/h9-10,14-17H,4-8,11-13H2,1-3H3,(H,29,35)(H,30,36);10-11,15-18H,5-9,12-14H2,1-4H3,(H,29,35);10-11,14-17H,4-9,12-13H2,1-3H3,(H,28,33);8-9,13-16,32H,3-7,10-12H2,1-2H3,(H,27,33);8-9,11-14,32H,3-7,10H2,1-2H3,(H,27,30)
• InChIKey: AHVSWRZNGNUWOK-UHFFFAOYSA-N
• XLogP: 18.65
• TPSA: 470.80 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 29
• Rotatable Bonds: 30
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2375.82
LogP ≤ 5	18.65
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;N-[2-(dimethylamino)ethyl]-4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluoro-N-hydroxybenzamide;4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluoro-N-(2-hydroxyethyl)benzamide;4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluoro-N-propylbenzamide?

The IUPAC name of N-(2-acetamidoethyl)-4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;N-[2-(dimethylamino)ethyl]-4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluoro-N-hydroxybenzamide;4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluoro-N-(2-hydroxyethyl)benzamide;4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluoro-N-propylbenzamide (CID 157119937) is N-(2-acetamidoethyl)-4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;N-[2-(dimethylamino)ethyl]-4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluoro-N-hydroxybenzamide;4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluoro-N-(2-hydroxyethyl)benzamide;4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluoro-N-propylbenzamide.

What is the SMILES notation for N-(2-acetamidoethyl)-4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;N-[2-(dimethylamino)ethyl]-4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluoro-N-hydroxybenzamide;4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluoro-N-(2-hydroxyethyl)benzamide;4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluoro-N-propylbenzamide?

The canonical SMILES for N-(2-acetamidoethyl)-4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;N-[2-(dimethylamino)ethyl]-4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluoro-N-hydroxybenzamide;4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluoro-N-(2-hydroxyethyl)benzamide;4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluoro-N-propylbenzamide is CCCNC(=O)c1ccc(-c2cc3nc(C(=O)N4CCCCCC4C)cc(CC)n3n2)c(F)c1.CCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccc(C(=O)NCCN(C)C)cc3F)nn12.CCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccc(C(=O)NCCNC(C)=O)cc3F)nn12.CCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccc(C(=O)NCCO)cc3F)nn12.CCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccc(C(=O)NO)cc3F)nn12.

What is the InChIKey of N-(2-acetamidoethyl)-4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;N-[2-(dimethylamino)ethyl]-4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluoro-N-hydroxybenzamide;4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluoro-N-(2-hydroxyethyl)benzamide;4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluoro-N-propylbenzamide?

The InChIKey is AHVSWRZNGNUWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN6O3.C27H35FN6O2.C26H32FN5O2.C25H30FN5O3.C23H26FN5O3/c1-4-20-15-24(27(37)33-13-7-5-6-8-17(33)2)31-25-16-23(32-34(20)25)21-10-9-19(14-22(21)28)26(36)30-12-11-29-18(3)35;1-5-20-16-24(27(36)33-13-8-6-7-9-18(33)2)30-25-17-23(31-34(20)25)21-11-10-19(15-22(21)28)26(35)29-12-14-32(3)4;1-4-12-28-25(33)18-10-11-20(21(27)14-18)22-16-24-29-23(15-19(5-2)32(24)30-22)26(34)31-13-8-6-7-9-17(31)3;1-3-18-14-22(25(34)30-11-6-4-5-7-16(30)2)28-23-15-21(29-31(18)23)19-9-8-17(13-20(19)26)24(33)27-10-12-32;1-3-16-12-20(23(31)28-10-6-4-5-7-14(28)2)25-21-13-19(26-29(16)21)17-9-8-15(11-18(17)24)22(30)27-32/h9-10,14-17H,4-8,11-13H2,1-3H3,(H,29,35)(H,30,36);10-11,15-18H,5-9,12-14H2,1-4H3,(H,29,35);10-11,14-17H,4-9,12-13H2,1-3H3,(H,28,33);8-9,13-16,32H,3-7,10-12H2,1-2H3,(H,27,33);8-9,11-14,32H,3-7,10H2,1-2H3,(H,27,30).

What are the key properties of N-(2-acetamidoethyl)-4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;N-[2-(dimethylamino)ethyl]-4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluoro-N-hydroxybenzamide;4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluoro-N-(2-hydroxyethyl)benzamide;4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluoro-N-propylbenzamide?

N-(2-acetamidoethyl)-4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;N-[2-(dimethylamino)ethyl]-4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluoro-N-hydroxybenzamide;4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluoro-N-(2-hydroxyethyl)benzamide;4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluoro-N-propylbenzamide has a molecular weight of 2375.82 g/mol, XLogP of 18.65, 30 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-acetamidoethyl)-4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;N-[2-(dimethylamino)ethyl]-4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluoro-N-hydroxybenzamide;4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluoro-N-(2-hydroxyethyl)benzamide;4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluoro-N-propylbenzamide is sourced from PubChem (CID 157119937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).