4-[2-[(4aS)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylbenzamide;[4-[2-[(4aR)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-methylphenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;[4-[2-[(4aS)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-methylphenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;[4-[2-[(4aR)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone

C127H138N24O7 — CID 167587820

About 4-[2-[(4aS)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylbenzamide;[4-[2-[(4aR)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-methylphenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;[4-[2-[(4aS)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-methylphenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;[4-[2-[(4aR)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone

4-[2-[(4aS)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylbenzamide;[4-[2-[(4aR)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-methylphenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;[4-[2-[(4aS)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-methylphenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;[4-[2-[(4aR)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone (PubChem CID 167587820) has the molecular formula C127H138N24O7 and a molecular weight of 2112.66 g/mol. Its IUPAC name is 4-[2-[(4aS)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylbenzamide;[4-[2-[(4aR)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-methylphenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;[4-[2-[(4aS)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-methylphenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;[4-[2-[(4aR)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone.

Molecular Properties

• Compound Name: 4-[2-[(4aS)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylbenzamide;[4-[2-[(4aR)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-methylphenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;[4-[2-[(4aS)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-methylphenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;[4-[2-[(4aR)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone
• PubChem CID: 167587820
• Molecular Formula: C127H138N24O7
• Molecular Weight: 2112.66 g/mol
• Exact Mass: 2111.12
• IUPAC Name: 4-[2-[(4aS)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylbenzamide;[4-[2-[(4aR)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-methylphenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;[4-[2-[(4aS)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-methylphenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;[4-[2-[(4aR)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone
• SMILES: Cc1cc(-c2c[nH]c3ncc(-c4cc(C)c5c(c4)CC[C@@H]4CN(C)CCN54)nc23)ccc1C(=O)N1CC2(COC2)C1.Cc1cc(-c2c[nH]c3ncc(-c4cc(C)c5c(c4)CC[C@H]4CN(C)CCN54)nc23)ccc1C(=O)N1CC2(COC2)C1.Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N(C)C)cc4)c3n2)cc2c1N1CCN(C)C[C@@H]1CC2.Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N5CC6(COC6)C5)cc4)c3n2)cc2c1N1CCN(C)C[C@H]1CC2
• InChI: InChI=1S/2C33H36N6O2.C32H34N6O2.C29H32N6O/c2*1-20-10-22(5-7-26(20)32(40)38-16-33(17-38)18-41-19-33)27-13-34-31-29(27)36-28(14-35-31)24-11-21(2)30-23(12-24)4-6-25-15-37(3)8-9-39(25)30;1-20-11-24(12-23-7-8-25-15-36(2)9-10-38(25)29(20)23)27-14-34-30-28(35-27)26(13-33-30)21-3-5-22(6-4-21)31(39)37-16-32(17-37)18-40-19-32;1-18-13-22(14-21-9-10-23-17-34(4)11-12-35(23)27(18)21)25-16-31-28-26(32-25)24(15-30-28)19-5-7-20(8-6-19)29(36)33(2)3/h2*5,7,10-14,25H,4,6,8-9,15-19H2,1-3H3,(H,34,35);3-6,11-14,25H,7-10,15-19H2,1-2H3,(H,33,34);5-8,13-16,23H,9-12,17H2,1-4H3,(H,30,31)/t3*25-;23-/m1010/s1
• InChIKey: IALPRUIHQSXLJZ-UQRRCCRYSA-N
• XLogP: 17.40
• TPSA: 301.13 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 12
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2112.66
LogP ≤ 5	17.40
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4aS)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylbenzamide;[4-[2-[(4aR)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-methylphenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;[4-[2-[(4aS)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-methylphenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;[4-[2-[(4aR)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone?

The IUPAC name of 4-[2-[(4aS)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylbenzamide;[4-[2-[(4aR)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-methylphenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;[4-[2-[(4aS)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-methylphenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;[4-[2-[(4aR)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone (CID 167587820) is 4-[2-[(4aS)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylbenzamide;[4-[2-[(4aR)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-methylphenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;[4-[2-[(4aS)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-methylphenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;[4-[2-[(4aR)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone.

What is the SMILES notation for 4-[2-[(4aS)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylbenzamide;[4-[2-[(4aR)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-methylphenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;[4-[2-[(4aS)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-methylphenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;[4-[2-[(4aR)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone?

The canonical SMILES for 4-[2-[(4aS)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylbenzamide;[4-[2-[(4aR)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-methylphenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;[4-[2-[(4aS)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-methylphenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;[4-[2-[(4aR)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone is Cc1cc(-c2c[nH]c3ncc(-c4cc(C)c5c(c4)CC[C@@H]4CN(C)CCN54)nc23)ccc1C(=O)N1CC2(COC2)C1.Cc1cc(-c2c[nH]c3ncc(-c4cc(C)c5c(c4)CC[C@H]4CN(C)CCN54)nc23)ccc1C(=O)N1CC2(COC2)C1.Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N(C)C)cc4)c3n2)cc2c1N1CCN(C)C[C@@H]1CC2.Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N5CC6(COC6)C5)cc4)c3n2)cc2c1N1CCN(C)C[C@H]1CC2.

What is the InChIKey of 4-[2-[(4aS)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylbenzamide;[4-[2-[(4aR)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-methylphenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;[4-[2-[(4aS)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-methylphenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;[4-[2-[(4aR)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone?

The InChIKey is IALPRUIHQSXLJZ-UQRRCCRYSA-N. The full InChI is InChI=1S/2C33H36N6O2.C32H34N6O2.C29H32N6O/c2*1-20-10-22(5-7-26(20)32(40)38-16-33(17-38)18-41-19-33)27-13-34-31-29(27)36-28(14-35-31)24-11-21(2)30-23(12-24)4-6-25-15-37(3)8-9-39(25)30;1-20-11-24(12-23-7-8-25-15-36(2)9-10-38(25)29(20)23)27-14-34-30-28(35-27)26(13-33-30)21-3-5-22(6-4-21)31(39)37-16-32(17-37)18-40-19-32;1-18-13-22(14-21-9-10-23-17-34(4)11-12-35(23)27(18)21)25-16-31-28-26(32-25)24(15-30-28)19-5-7-20(8-6-19)29(36)33(2)3/h2*5,7,10-14,25H,4,6,8-9,15-19H2,1-3H3,(H,34,35);3-6,11-14,25H,7-10,15-19H2,1-2H3,(H,33,34);5-8,13-16,23H,9-12,17H2,1-4H3,(H,30,31)/t3*25-;23-/m1010/s1.

What are the key properties of 4-[2-[(4aS)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylbenzamide;[4-[2-[(4aR)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-methylphenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;[4-[2-[(4aS)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-methylphenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;[4-[2-[(4aR)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone?

4-[2-[(4aS)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylbenzamide;[4-[2-[(4aR)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-methylphenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;[4-[2-[(4aS)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-methylphenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;[4-[2-[(4aR)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone has a molecular weight of 2112.66 g/mol, XLogP of 17.40, 12 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[(4aS)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylbenzamide;[4-[2-[(4aR)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-methylphenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;[4-[2-[(4aS)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-methylphenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;[4-[2-[(4aR)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone is sourced from PubChem (CID 167587820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).