4-[5-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-ethylpyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide

C100H95F4N25O8 — CID 159149194

About 4-[5-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-ethylpyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide

4-[5-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-ethylpyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide (PubChem CID 159149194) has the molecular formula C100H95F4N25O8 and a molecular weight of 1851.02 g/mol. Its IUPAC name is 4-[5-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-ethylpyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide.

Molecular Properties

• Compound Name: 4-[5-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-ethylpyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide
• PubChem CID: 159149194
• Molecular Formula: C100H95F4N25O8
• Molecular Weight: 1851.02 g/mol
• Exact Mass: 1849.77
• IUPAC Name: 4-[5-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-ethylpyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide
• SMILES: CCc1cc(C(=O)N2CCc3c([nH]c4ccccc34)C2C)nc2cc(-c3ccc(C(N)=O)cc3F)nn12.CCc1cc(C(=O)N2CCn3c(C)ccc3C2C)nc2cc(-c3ccc(C(N)=O)cc3F)nn12.CCc1cc(C(=O)N2CCn3cccc3C2C)nc2cc(-c3ccc(C(N)=O)cc3F)nn12.CCc1cc(C(=O)N2CCn3nccc3C2C)nc2cc(-c3ccc(C(N)=O)cc3F)nn12
• InChI: InChI=1S/C28H25FN6O2.C25H25FN6O2.C24H23FN6O2.C23H22FN7O2/c1-3-17-13-24(28(37)34-11-10-19-18-6-4-5-7-22(18)32-26(19)15(34)2)31-25-14-23(33-35(17)25)20-9-8-16(27(30)36)12-21(20)29;1-4-17-12-21(25(34)31-10-9-30-14(2)5-8-22(30)15(31)3)28-23-13-20(29-32(17)23)18-7-6-16(24(27)33)11-19(18)26;1-3-16-12-20(24(33)30-10-9-29-8-4-5-21(29)14(30)2)27-22-13-19(28-31(16)22)17-7-6-15(23(26)32)11-18(17)25;1-3-15-11-19(23(33)29-8-9-30-20(13(29)2)6-7-26-30)27-21-12-18(28-31(15)21)16-5-4-14(22(25)32)10-17(16)24/h4-9,12-15,32H,3,10-11H2,1-2H3,(H2,30,36);5-8,11-13,15H,4,9-10H2,1-3H3,(H2,27,33);4-8,11-14H,3,9-10H2,1-2H3,(H2,26,32);4-7,10-13H,3,8-9H2,1-2H3,(H2,25,32)
• InChIKey: KJBHWLCZUJIOLK-UHFFFAOYSA-N
• XLogP: 13.79
• TPSA: 417.83 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 16
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1851.02
LogP ≤ 5	13.79
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-ethylpyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide?

The IUPAC name of 4-[5-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-ethylpyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide (CID 159149194) is 4-[5-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-ethylpyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide.

What is the SMILES notation for 4-[5-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-ethylpyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide?

The canonical SMILES for 4-[5-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-ethylpyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide is CCc1cc(C(=O)N2CCc3c([nH]c4ccccc34)C2C)nc2cc(-c3ccc(C(N)=O)cc3F)nn12.CCc1cc(C(=O)N2CCn3c(C)ccc3C2C)nc2cc(-c3ccc(C(N)=O)cc3F)nn12.CCc1cc(C(=O)N2CCn3cccc3C2C)nc2cc(-c3ccc(C(N)=O)cc3F)nn12.CCc1cc(C(=O)N2CCn3nccc3C2C)nc2cc(-c3ccc(C(N)=O)cc3F)nn12.

What is the InChIKey of 4-[5-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-ethylpyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide?

The InChIKey is KJBHWLCZUJIOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN6O2.C25H25FN6O2.C24H23FN6O2.C23H22FN7O2/c1-3-17-13-24(28(37)34-11-10-19-18-6-4-5-7-22(18)32-26(19)15(34)2)31-25-14-23(33-35(17)25)20-9-8-16(27(30)36)12-21(20)29;1-4-17-12-21(25(34)31-10-9-30-14(2)5-8-22(30)15(31)3)28-23-13-20(29-32(17)23)18-7-6-16(24(27)33)11-19(18)26;1-3-16-12-20(24(33)30-10-9-29-8-4-5-21(29)14(30)2)27-22-13-19(28-31(16)22)17-7-6-15(23(26)32)11-18(17)25;1-3-15-11-19(23(33)29-8-9-30-20(13(29)2)6-7-26-30)27-21-12-18(28-31(15)21)16-5-4-14(22(25)32)10-17(16)24/h4-9,12-15,32H,3,10-11H2,1-2H3,(H2,30,36);5-8,11-13,15H,4,9-10H2,1-3H3,(H2,27,33);4-8,11-14H,3,9-10H2,1-2H3,(H2,26,32);4-7,10-13H,3,8-9H2,1-2H3,(H2,25,32).

What are the key properties of 4-[5-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-ethylpyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide?

4-[5-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-ethylpyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide has a molecular weight of 1851.02 g/mol, XLogP of 13.79, 16 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-ethylpyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide;4-[7-ethyl-5-(1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide is sourced from PubChem (CID 159149194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).