bis(3,8,8,9,9,10,17-heptamethyl-1,12,15-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene);7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-b]pyrazine-5,2'-adamantane];7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-b]pyrazine-5,1'-cyclohexane];7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-b]pyrazine-5,1'-cyclopentane];7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclopentane]

C120H146N18 — CID 162295693

IUPACbis(3,8,8,9,9,10,17-heptamethyl-1,12,15-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene);7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-b]pyrazine-5,2'-adamantane];7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-b]pyrazine-5,1'-cyclohexane];7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-b]pyrazine-5,1'-cyclopentane];7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclopentane]
SMILESCc1cccc2c1N1C(C)c3nccnc3C1(C)C(C)(C)C2(C)C.Cc1cccc2c1N1C(C)c3nccnc3C1(C)C(C)(C)C2(C)C.Cc1ccccc1N1C(C)c2nccnc2C12C1CC3CC(C1)CC2C3.Cc1ccccc1N1C(C)c2nccnc2C12CCCC2.Cc1ccccc1N1C(C)c2nccnc2C12CCCCC2.Cc1ccccc1N1C(C)c2ncncc2C12CCCC2
InChIInChI=1S/C23H27N3.2C21H27N3.C19H23N3.2C18H21N3/c1-14-5-3-4-6-20(14)26-15(2)21-22(25-8-7-24-21)23(26)18-10-16-9-17(12-18)13-19(23)11-16;2*1-13-9-8-10-15-17(13)24-14(2)16-18(23-12-11-22-16)21(24,7)20(5,6)19(15,3)4;1-14-8-4-5-9-16(14)22-15(2)17-18(21-13-12-20-17)19(22)10-6-3-7-11-19;1-13-7-3-4-8-16(13)21-14(2)17-15(11-19-12-20-17)18(21)9-5-6-10-18;1-13-7-3-4-8-15(13)21-14(2)16-17(20-12-11-19-16)18(21)9-5-6-10-18/h3-8,15-19H,9-13H2,1-2H3;2*8-12,14H,1-7H3;4-5,8-9,12-13,15H,3,6-7,10-11H2,1-2H3;2*3-4,7-8,11-12,14H,5-6,9-10H2,1-2H3
InChIKeyUGXLFXBTTKSZND-UHFFFAOYSA-N
MW1840.61 g/mol
LogP27.61
Rot. Bonds4

About bis(3,8,8,9,9,10,17-heptamethyl-1,12,15-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene);7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-b]pyrazine-5,2'-adamantane];7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-b]pyrazine-5,1'-cyclohexane];7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-b]pyrazine-5,1'-cyclopentane];7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclopentane]

bis(3,8,8,9,9,10,17-heptamethyl-1,12,15-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene);7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-b]pyrazine-5,2'-adamantane];7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-b]pyrazine-5,1'-cyclohexane];7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-b]pyrazine-5,1'-cyclopentane];7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclopentane] (PubChem CID 162295693) has the molecular formula C120H146N18 and a molecular weight of 1840.61 g/mol. Its IUPAC name is bis(3,8,8,9,9,10,17-heptamethyl-1,12,15-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene);7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-b]pyrazine-5,2'-adamantane];7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-b]pyrazine-5,1'-cyclohexane];7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-b]pyrazine-5,1'-cyclopentane];7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclopentane].

Molecular Properties

Compound Namebis(3,8,8,9,9,10,17-heptamethyl-1,12,15-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene);7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-b]pyrazine-5,2'-adamantane];7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-b]pyrazine-5,1'-cyclohexane];7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-b]pyrazine-5,1'-cyclopentane];7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclopentane]
PubChem CID162295693
Molecular FormulaC120H146N18
Molecular Weight1840.61 g/mol
Exact Mass1839.20
IUPAC Namebis(3,8,8,9,9,10,17-heptamethyl-1,12,15-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene);7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-b]pyrazine-5,2'-adamantane];7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-b]pyrazine-5,1'-cyclohexane];7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-b]pyrazine-5,1'-cyclopentane];7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclopentane]
SMILESCc1cccc2c1N1C(C)c3nccnc3C1(C)C(C)(C)C2(C)C.Cc1cccc2c1N1C(C)c3nccnc3C1(C)C(C)(C)C2(C)C.Cc1ccccc1N1C(C)c2nccnc2C12C1CC3CC(C1)CC2C3.Cc1ccccc1N1C(C)c2nccnc2C12CCCC2.Cc1ccccc1N1C(C)c2nccnc2C12CCCCC2.Cc1ccccc1N1C(C)c2ncncc2C12CCCC2
InChIInChI=1S/C23H27N3.2C21H27N3.C19H23N3.2C18H21N3/c1-14-5-3-4-6-20(14)26-15(2)21-22(25-8-7-24-21)23(26)18-10-16-9-17(12-18)13-19(23)11-16;2*1-13-9-8-10-15-17(13)24-14(2)16-18(23-12-11-22-16)21(24,7)20(5,6)19(15,3)4;1-14-8-4-5-9-16(14)22-15(2)17-18(21-13-12-20-17)19(22)10-6-3-7-11-19;1-13-7-3-4-8-16(13)21-14(2)17-15(11-19-12-20-17)18(21)9-5-6-10-18;1-13-7-3-4-8-15(13)21-14(2)16-17(20-12-11-19-16)18(21)9-5-6-10-18/h3-8,15-19H,9-13H2,1-2H3;2*8-12,14H,1-7H3;4-5,8-9,12-13,15H,3,6-7,10-11H2,1-2H3;2*3-4,7-8,11-12,14H,5-6,9-10H2,1-2H3
InChIKeyUGXLFXBTTKSZND-UHFFFAOYSA-N
XLogP27.61
TPSA174.12 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds4
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001840.61
LogP ≤ 527.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze bis(3,8,8,9,9,10,17-heptamethyl-1,12,15-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene);7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-b]pyrazine-5,2'-adamantane];7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-b]pyrazine-5,1'-cyclohexane];7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-b]pyrazine-5,1'-cyclopentane];7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclopentane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(3,8,8,9,9,10,17-heptamethyl-1,12,15-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene);7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-b]pyrazine-5,2'-adamantane];7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-b]pyrazine-5,1'-cyclohexane];7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-b]pyrazine-5,1'-cyclopentane];7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclopentane]?
The IUPAC name of bis(3,8,8,9,9,10,17-heptamethyl-1,12,15-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene);7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-b]pyrazine-5,2'-adamantane];7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-b]pyrazine-5,1'-cyclohexane];7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-b]pyrazine-5,1'-cyclopentane];7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclopentane] (CID 162295693) is bis(3,8,8,9,9,10,17-heptamethyl-1,12,15-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene);7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-b]pyrazine-5,2'-adamantane];7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-b]pyrazine-5,1'-cyclohexane];7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-b]pyrazine-5,1'-cyclopentane];7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclopentane].
What is the SMILES notation for bis(3,8,8,9,9,10,17-heptamethyl-1,12,15-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene);7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-b]pyrazine-5,2'-adamantane];7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-b]pyrazine-5,1'-cyclohexane];7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-b]pyrazine-5,1'-cyclopentane];7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclopentane]?
The canonical SMILES for bis(3,8,8,9,9,10,17-heptamethyl-1,12,15-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene);7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-b]pyrazine-5,2'-adamantane];7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-b]pyrazine-5,1'-cyclohexane];7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-b]pyrazine-5,1'-cyclopentane];7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclopentane] is Cc1cccc2c1N1C(C)c3nccnc3C1(C)C(C)(C)C2(C)C.Cc1cccc2c1N1C(C)c3nccnc3C1(C)C(C)(C)C2(C)C.Cc1ccccc1N1C(C)c2nccnc2C12C1CC3CC(C1)CC2C3.Cc1ccccc1N1C(C)c2nccnc2C12CCCC2.Cc1ccccc1N1C(C)c2nccnc2C12CCCCC2.Cc1ccccc1N1C(C)c2ncncc2C12CCCC2.
What is the InChIKey of bis(3,8,8,9,9,10,17-heptamethyl-1,12,15-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene);7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-b]pyrazine-5,2'-adamantane];7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-b]pyrazine-5,1'-cyclohexane];7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-b]pyrazine-5,1'-cyclopentane];7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclopentane]?
The InChIKey is UGXLFXBTTKSZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3.2C21H27N3.C19H23N3.2C18H21N3/c1-14-5-3-4-6-20(14)26-15(2)21-22(25-8-7-24-21)23(26)18-10-16-9-17(12-18)13-19(23)11-16;2*1-13-9-8-10-15-17(13)24-14(2)16-18(23-12-11-22-16)21(24,7)20(5,6)19(15,3)4;1-14-8-4-5-9-16(14)22-15(2)17-18(21-13-12-20-17)19(22)10-6-3-7-11-19;1-13-7-3-4-8-16(13)21-14(2)17-15(11-19-12-20-17)18(21)9-5-6-10-18;1-13-7-3-4-8-15(13)21-14(2)16-17(20-12-11-19-16)18(21)9-5-6-10-18/h3-8,15-19H,9-13H2,1-2H3;2*8-12,14H,1-7H3;4-5,8-9,12-13,15H,3,6-7,10-11H2,1-2H3;2*3-4,7-8,11-12,14H,5-6,9-10H2,1-2H3.
What are the key properties of bis(3,8,8,9,9,10,17-heptamethyl-1,12,15-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene);7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-b]pyrazine-5,2'-adamantane];7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-b]pyrazine-5,1'-cyclohexane];7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-b]pyrazine-5,1'-cyclopentane];7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclopentane]?
bis(3,8,8,9,9,10,17-heptamethyl-1,12,15-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene);7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-b]pyrazine-5,2'-adamantane];7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-b]pyrazine-5,1'-cyclohexane];7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-b]pyrazine-5,1'-cyclopentane];7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclopentane] has a molecular weight of 1840.61 g/mol, XLogP of 27.61, 4 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,8,8,9,9,10,17-heptamethyl-1,12,15-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene);7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-b]pyrazine-5,2'-adamantane];7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-b]pyrazine-5,1'-cyclohexane];7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-b]pyrazine-5,1'-cyclopentane];7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclopentane] is sourced from PubChem (CID 162295693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).