3-(trideuteriomethyl)-1-[3-[3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-imidazo[4,5-b]pyrazine

C33H40N8 — CID 155650395

IUPAC3-(trideuteriomethyl)-1-[3-[3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-imidazo[4,5-b]pyrazine
SMILES[2H]C([2H])([2H])N1CN(c2cc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)cc(N3CN(C([2H])([2H])[2H])c4nccnc43)c2)c2nccnc21
InChIInChI=1S/C33H40N8/c1-20(2)23-15-27(21(3)4)29(28(16-23)22(5)6)24-13-25(40-18-38(7)30-32(40)36-11-9-34-30)17-26(14-24)41-19-39(8)31-33(41)37-12-10-35-31/h9-17,20-22H,18-19H2,1-8H3/i7D3,8D3
InChIKeyBLJAFZDXKUXZEH-FDSUUMENSA-N
MW554.78 g/mol
LogP7.39
Rot. Bonds8

About 3-(trideuteriomethyl)-1-[3-[3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-imidazo[4,5-b]pyrazine

3-(trideuteriomethyl)-1-[3-[3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-imidazo[4,5-b]pyrazine (PubChem CID 155650395) has the molecular formula C33H40N8 and a molecular weight of 554.78 g/mol. Its IUPAC name is 3-(trideuteriomethyl)-1-[3-[3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-imidazo[4,5-b]pyrazine.

Molecular Properties

Compound Name3-(trideuteriomethyl)-1-[3-[3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-imidazo[4,5-b]pyrazine
PubChem CID155650395
Molecular FormulaC33H40N8
Molecular Weight554.78 g/mol
Exact Mass554.38
IUPAC Name3-(trideuteriomethyl)-1-[3-[3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-imidazo[4,5-b]pyrazine
SMILES[2H]C([2H])([2H])N1CN(c2cc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)cc(N3CN(C([2H])([2H])[2H])c4nccnc43)c2)c2nccnc21
InChIInChI=1S/C33H40N8/c1-20(2)23-15-27(21(3)4)29(28(16-23)22(5)6)24-13-25(40-18-38(7)30-32(40)36-11-9-34-30)17-26(14-24)41-19-39(8)31-33(41)37-12-10-35-31/h9-17,20-22H,18-19H2,1-8H3/i7D3,8D3
InChIKeyBLJAFZDXKUXZEH-FDSUUMENSA-N
XLogP7.39
TPSA64.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.78
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-methyl-3-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-benzimidazole
CID 164730507
1-methyl-3-[3-(3-methyl-2H-imidazol-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-imidazole
CID 155650425
2-(3,5-dimethylphenyl)-1,3,5-tri(propan-2-yl)benzene
CID 123164700
1-methyl-3-[4-[2-[2,3,5,6-tetramethyl-4-[2-[4-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-2H-imidazo[4,5-b]pyrazine
CID 153295102
2-(4-phenylphenyl)-1,3,5-tri(propan-2-yl)benzene
CID 151062491
2-(4-benzhydrylphenyl)-1,3,5-tri(propan-2-yl)benzene
CID 173006325
2-[3-(3-methyl-2H-benzimidazol-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]phenoxy]-9-[4-(2,2,6,6-tetradeuterio-1-phenylcyclohexyl)-2-pyridinyl]carbazole
CID 162696398
2,8-bis[2,4,6-tri(propan-2-yl)phenyl]indazolo[1,2-a]indazole-10,12-dione
CID 166096622
4-tert-butyl-2-[4-(trideuteriomethyl)-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]pyridine
CID 171461612
1,4,5-trimethyl-3-[3-(3-methylimidazol-3-ium-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]phenyl]imidazol-1-ium
CID 164730515
CID 162408879
CID 162408879
CID 136828174
CID 136828174

Frequently Asked Questions

What is the IUPAC name of 3-(trideuteriomethyl)-1-[3-[3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-imidazo[4,5-b]pyrazine?
The IUPAC name of 3-(trideuteriomethyl)-1-[3-[3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-imidazo[4,5-b]pyrazine (CID 155650395) is 3-(trideuteriomethyl)-1-[3-[3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-imidazo[4,5-b]pyrazine.
What is the SMILES notation for 3-(trideuteriomethyl)-1-[3-[3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-imidazo[4,5-b]pyrazine?
The canonical SMILES for 3-(trideuteriomethyl)-1-[3-[3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-imidazo[4,5-b]pyrazine is [2H]C([2H])([2H])N1CN(c2cc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)cc(N3CN(C([2H])([2H])[2H])c4nccnc43)c2)c2nccnc21.
What is the InChIKey of 3-(trideuteriomethyl)-1-[3-[3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-imidazo[4,5-b]pyrazine?
The InChIKey is BLJAFZDXKUXZEH-FDSUUMENSA-N. The full InChI is InChI=1S/C33H40N8/c1-20(2)23-15-27(21(3)4)29(28(16-23)22(5)6)24-13-25(40-18-38(7)30-32(40)36-11-9-34-30)17-26(14-24)41-19-39(8)31-33(41)37-12-10-35-31/h9-17,20-22H,18-19H2,1-8H3/i7D3,8D3.
What are the key properties of 3-(trideuteriomethyl)-1-[3-[3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-imidazo[4,5-b]pyrazine?
3-(trideuteriomethyl)-1-[3-[3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-imidazo[4,5-b]pyrazine has a molecular weight of 554.78 g/mol, XLogP of 7.39, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trideuteriomethyl)-1-[3-[3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-imidazo[4,5-b]pyrazine is sourced from PubChem (CID 155650395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).