1-methyl-3-[3-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]sulfanylphenyl]-2H-imidazo[4,5-b]pyrazine

C24H22N8S — CID 156666849

IUPAC1-methyl-3-[3-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]sulfanylphenyl]-2H-imidazo[4,5-b]pyrazine
SMILESCN1CN(c2cccc(Sc3cccc(N4CN(C)c5nccnc54)c3)c2)c2nccnc21
InChIInChI=1S/C24H22N8S/c1-29-15-31(23-21(29)25-9-11-27-23)17-5-3-7-19(13-17)33-20-8-4-6-18(14-20)32-16-30(2)22-24(32)28-12-10-26-22/h3-14H,15-16H2,1-2H3
InChIKeySYCFUZLURGEYPU-UHFFFAOYSA-N
MW454.56 g/mol
LogP4.51
Rot. Bonds4

About 1-methyl-3-[3-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]sulfanylphenyl]-2H-imidazo[4,5-b]pyrazine

1-methyl-3-[3-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]sulfanylphenyl]-2H-imidazo[4,5-b]pyrazine (PubChem CID 156666849) has the molecular formula C24H22N8S and a molecular weight of 454.56 g/mol. Its IUPAC name is 1-methyl-3-[3-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]sulfanylphenyl]-2H-imidazo[4,5-b]pyrazine.

Molecular Properties

Compound Name1-methyl-3-[3-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]sulfanylphenyl]-2H-imidazo[4,5-b]pyrazine
PubChem CID156666849
Molecular FormulaC24H22N8S
Molecular Weight454.56 g/mol
Exact Mass454.17
IUPAC Name1-methyl-3-[3-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]sulfanylphenyl]-2H-imidazo[4,5-b]pyrazine
SMILESCN1CN(c2cccc(Sc3cccc(N4CN(C)c5nccnc54)c3)c2)c2nccnc21
InChIInChI=1S/C24H22N8S/c1-29-15-31(23-21(29)25-9-11-27-23)17-5-3-7-19(13-17)33-20-8-4-6-18(14-20)32-16-30(2)22-24(32)28-12-10-26-22/h3-14H,15-16H2,1-2H3
InChIKeySYCFUZLURGEYPU-UHFFFAOYSA-N
XLogP4.51
TPSA64.52 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.56
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

1,3-bis(3-methylphenyl)-2H-imidazo[4,5-b]pyrazine
CID 140706711
1-[3-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]sulfanylphenyl]-3-methyl-2H-imidazo[4,5-b]pyridine
CID 140593550
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
3-[9-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]fluoren-9-yl]-9-phenylcarbazole
CID 156666908
3-methyl-1-pyridin-3-yl-2H-imidazo[4,5-b]pyridine
CID 143141740
1,3-bis(4-methylphenyl)-2H-imidazo[4,5-b]pyrazine
CID 140758501
3-(4-tert-butylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazine
CID 140758604
3-(3,5-difluorophenyl)-1-methyl-2H-imidazo[4,5-b]pyridine
CID 171052815
5-tert-butyl-1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazine
CID 166503787
1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-2H-benzimidazole;osmium
CID 157121404
9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]sulfanylcarbazole
CID 167401543
1-[2-[3-[(4-tert-butyl-2-pyridinyl)sulfanyl]phenoxy]-4-pyridinyl]-3-methyl-2H-benzimidazole
CID 168848516

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]sulfanylphenyl]-2H-imidazo[4,5-b]pyrazine?
The IUPAC name of 1-methyl-3-[3-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]sulfanylphenyl]-2H-imidazo[4,5-b]pyrazine (CID 156666849) is 1-methyl-3-[3-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]sulfanylphenyl]-2H-imidazo[4,5-b]pyrazine.
What is the SMILES notation for 1-methyl-3-[3-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]sulfanylphenyl]-2H-imidazo[4,5-b]pyrazine?
The canonical SMILES for 1-methyl-3-[3-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]sulfanylphenyl]-2H-imidazo[4,5-b]pyrazine is CN1CN(c2cccc(Sc3cccc(N4CN(C)c5nccnc54)c3)c2)c2nccnc21.
What is the InChIKey of 1-methyl-3-[3-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]sulfanylphenyl]-2H-imidazo[4,5-b]pyrazine?
The InChIKey is SYCFUZLURGEYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N8S/c1-29-15-31(23-21(29)25-9-11-27-23)17-5-3-7-19(13-17)33-20-8-4-6-18(14-20)32-16-30(2)22-24(32)28-12-10-26-22/h3-14H,15-16H2,1-2H3.
What are the key properties of 1-methyl-3-[3-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]sulfanylphenyl]-2H-imidazo[4,5-b]pyrazine?
1-methyl-3-[3-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]sulfanylphenyl]-2H-imidazo[4,5-b]pyrazine has a molecular weight of 454.56 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]sulfanylphenyl]-2H-imidazo[4,5-b]pyrazine is sourced from PubChem (CID 156666849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).