5-[6,7-dimethyl-7-(trideuteriomethyl)-6H-pyrrolo[2,3-b]pyrazin-5-yl]-6-methyl-4H-imidazo[1,2-a]indole

C20H21N5 — CID 162296807

IUPAC5-[6,7-dimethyl-7-(trideuteriomethyl)-6H-pyrrolo[2,3-b]pyrazin-5-yl]-6-methyl-4H-imidazo[1,2-a]indole
SMILES[2H]C([2H])([2H])C1(C)c2nccnc2N(c2c(C)ccc3c2Cc2nccn2-3)C1C
InChIInChI=1S/C20H21N5/c1-12-5-6-15-14(11-16-21-9-10-24(15)16)17(12)25-13(2)20(3,4)18-19(25)23-8-7-22-18/h5-10,13H,11H2,1-4H3/i3D3
InChIKeyCDOYPKWLQVWBEC-HPRDVNIFSA-N
MW334.44 g/mol
LogP3.69
Rot. Bonds2

About 5-[6,7-dimethyl-7-(trideuteriomethyl)-6H-pyrrolo[2,3-b]pyrazin-5-yl]-6-methyl-4H-imidazo[1,2-a]indole

5-[6,7-dimethyl-7-(trideuteriomethyl)-6H-pyrrolo[2,3-b]pyrazin-5-yl]-6-methyl-4H-imidazo[1,2-a]indole (PubChem CID 162296807) has the molecular formula C20H21N5 and a molecular weight of 334.44 g/mol. Its IUPAC name is 5-[6,7-dimethyl-7-(trideuteriomethyl)-6H-pyrrolo[2,3-b]pyrazin-5-yl]-6-methyl-4H-imidazo[1,2-a]indole.

Molecular Properties

Compound Name5-[6,7-dimethyl-7-(trideuteriomethyl)-6H-pyrrolo[2,3-b]pyrazin-5-yl]-6-methyl-4H-imidazo[1,2-a]indole
PubChem CID162296807
Molecular FormulaC20H21N5
Molecular Weight334.44 g/mol
Exact Mass334.20
IUPAC Name5-[6,7-dimethyl-7-(trideuteriomethyl)-6H-pyrrolo[2,3-b]pyrazin-5-yl]-6-methyl-4H-imidazo[1,2-a]indole
SMILES[2H]C([2H])([2H])C1(C)c2nccnc2N(c2c(C)ccc3c2Cc2nccn2-3)C1C
InChIInChI=1S/C20H21N5/c1-12-5-6-15-14(11-16-21-9-10-24(15)16)17(12)25-13(2)20(3,4)18-19(25)23-8-7-22-18/h5-10,13H,11H2,1-4H3/i3D3
InChIKeyCDOYPKWLQVWBEC-HPRDVNIFSA-N
XLogP3.69
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-5-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-benzimidazol-1-yl]-4H-imidazo[1,2-a]indole
CID 158022488
1-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-2-methyl-11H-indolo[1,2-a]benzimidazole;1-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2-methyl-11H-indolo[1,2-a]benzimidazole;6-methyl-5-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-benzimidazol-1-yl]-4H-imidazo[1,2-a]indole;6-methyl-5-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazol-1-yl]-4H-imidazo[1,2-a]indole;6-methyl-5-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-4H-imidazo[1,2-a]indole;6-methyl-5-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-1-yl]-4H-imidazo[1,2-a]indole;6-methyl-5-[(2S)-2-methyl-1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-3-yl]-4H-imidazo[1,2-a]indole;6-methyl-5-[(2R)-2-methyl-3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-1-yl]-4H-imidazo[1,2-a]indole
CID 158022481
5-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-6-methyl-4H-imidazo[1,2-a]indole
CID 158354033
10,10-dimethyl-8-(2-methylphenyl)-1,3,6,8-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2,4,6,11,13,15-hexaene;ethane
CID 145283629
6-methyl-5-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-8-(trideuteriomethyl)-4H-imidazo[1,2-a]indole
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6-[1-[2,6-di(propan-2-yl)phenyl]-3-methylimidazol-3-ium-2-yl]-7-methyl-4H-imidazo[1,2-a]indole
CID 160912710
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CID 144761416
1-[2-methyl-6-(trideuteriomethyl)phenyl]-2-phenylimidazole
CID 158537931
6-[4-[cyclohexyl(dideuterio)methyl]-1-methylpyridin-1-ium-2-yl]-7-methyl-4H-imidazo[1,2-a]indole
CID 158144011
10,10-dimethyl-8-phenyl-1,3,6,8-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2,4,6,11,13,15-hexaene
CID 144782319
7-tert-butyl-4,5-dihydroimidazo[1,2-a]quinoline
CID 58110676
8-methyl-9-(1-methyl-4-phenylpyridin-1-ium-2-yl)-13,16-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,14-heptaene
CID 159137920

Frequently Asked Questions

What is the IUPAC name of 5-[6,7-dimethyl-7-(trideuteriomethyl)-6H-pyrrolo[2,3-b]pyrazin-5-yl]-6-methyl-4H-imidazo[1,2-a]indole?
The IUPAC name of 5-[6,7-dimethyl-7-(trideuteriomethyl)-6H-pyrrolo[2,3-b]pyrazin-5-yl]-6-methyl-4H-imidazo[1,2-a]indole (CID 162296807) is 5-[6,7-dimethyl-7-(trideuteriomethyl)-6H-pyrrolo[2,3-b]pyrazin-5-yl]-6-methyl-4H-imidazo[1,2-a]indole.
What is the SMILES notation for 5-[6,7-dimethyl-7-(trideuteriomethyl)-6H-pyrrolo[2,3-b]pyrazin-5-yl]-6-methyl-4H-imidazo[1,2-a]indole?
The canonical SMILES for 5-[6,7-dimethyl-7-(trideuteriomethyl)-6H-pyrrolo[2,3-b]pyrazin-5-yl]-6-methyl-4H-imidazo[1,2-a]indole is [2H]C([2H])([2H])C1(C)c2nccnc2N(c2c(C)ccc3c2Cc2nccn2-3)C1C.
What is the InChIKey of 5-[6,7-dimethyl-7-(trideuteriomethyl)-6H-pyrrolo[2,3-b]pyrazin-5-yl]-6-methyl-4H-imidazo[1,2-a]indole?
The InChIKey is CDOYPKWLQVWBEC-HPRDVNIFSA-N. The full InChI is InChI=1S/C20H21N5/c1-12-5-6-15-14(11-16-21-9-10-24(15)16)17(12)25-13(2)20(3,4)18-19(25)23-8-7-22-18/h5-10,13H,11H2,1-4H3/i3D3.
What are the key properties of 5-[6,7-dimethyl-7-(trideuteriomethyl)-6H-pyrrolo[2,3-b]pyrazin-5-yl]-6-methyl-4H-imidazo[1,2-a]indole?
5-[6,7-dimethyl-7-(trideuteriomethyl)-6H-pyrrolo[2,3-b]pyrazin-5-yl]-6-methyl-4H-imidazo[1,2-a]indole has a molecular weight of 334.44 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6,7-dimethyl-7-(trideuteriomethyl)-6H-pyrrolo[2,3-b]pyrazin-5-yl]-6-methyl-4H-imidazo[1,2-a]indole is sourced from PubChem (CID 162296807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).