7-(3-tert-butylbenzimidazol-5-yl)-2-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine

C28H32N8 — CID 122670195

IUPAC7-(3-tert-butylbenzimidazol-5-yl)-2-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine
SMILESCCN1CCN(c2cc(-c3cnc4[nH]cc(-c5ccc6ncn(C(C)(C)C)c6c5)c4n3)ccn2)CC1
InChIInChI=1S/C28H32N8/c1-5-34-10-12-35(13-11-34)25-15-20(8-9-29-25)23-17-31-27-26(33-23)21(16-30-27)19-6-7-22-24(14-19)36(18-32-22)28(2,3)4/h6-9,14-18H,5,10-13H2,1-4H3,(H,30,31)
InChIKeyAYIQVYJGMXNDRH-UHFFFAOYSA-N
MW480.62 g/mol
LogP4.93
Rot. Bonds4

About 7-(3-tert-butylbenzimidazol-5-yl)-2-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine

7-(3-tert-butylbenzimidazol-5-yl)-2-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 122670195) has the molecular formula C28H32N8 and a molecular weight of 480.62 g/mol. Its IUPAC name is 7-(3-tert-butylbenzimidazol-5-yl)-2-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name7-(3-tert-butylbenzimidazol-5-yl)-2-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine
PubChem CID122670195
Molecular FormulaC28H32N8
Molecular Weight480.62 g/mol
Exact Mass480.27
IUPAC Name7-(3-tert-butylbenzimidazol-5-yl)-2-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine
SMILESCCN1CCN(c2cc(-c3cnc4[nH]cc(-c5ccc6ncn(C(C)(C)C)c6c5)c4n3)ccn2)CC1
InChIInChI=1S/C28H32N8/c1-5-34-10-12-35(13-11-34)25-15-20(8-9-29-25)23-17-31-27-26(33-23)21(16-30-27)19-6-7-22-24(14-19)36(18-32-22)28(2,3)4/h6-9,14-18H,5,10-13H2,1-4H3,(H,30,31)
InChIKeyAYIQVYJGMXNDRH-UHFFFAOYSA-N
XLogP4.93
TPSA78.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.62
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-(3-tert-butylbenzimidazol-5-yl)-2-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(3-tert-butylbenzimidazol-5-yl)-2-[4-(4-ethylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine
CID 122608698
2-[3-[7-(3-tert-butylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]thiazinane
CID 122671466
N-[3-[7-(3-tert-butylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]propane-2-sulfonamide
CID 122608737
2-(2-piperazin-1-yl-4-pyridinyl)-7-(3-piperidin-3-ylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 122670217
7-(3-tert-butylbenzimidazol-5-yl)-2-[2-(2-methylpyrimidin-5-yl)ethynyl]-5H-pyrrolo[2,3-b]pyrazine
CID 122608972
N-[3-[7-(3-methylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]propane-1-sulfonamide
CID 122609020
2-[4-[7-(3-piperidin-3-ylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-pyridinyl]-1,2-thiazolidine 1,1-dioxide
CID 122670212
1-tert-butyl-6-(5-ethynyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzimidazole
CID 122608917
2-[4-[7-(3-piperidin-3-ylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-pyridinyl]thiazinane 1,1-dioxide
CID 122670210
7-(6-piperidin-1-yl-3-pyridinyl)-2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazine
CID 90105575
N-methyl-N-[3-[7-(3-methylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methanesulfonamide
CID 122608983
7-(3-piperidin-3-ylbenzimidazol-5-yl)-2-(4-piperidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 122608495

Frequently Asked Questions

What is the IUPAC name of 7-(3-tert-butylbenzimidazol-5-yl)-2-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 7-(3-tert-butylbenzimidazol-5-yl)-2-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine (CID 122670195) is 7-(3-tert-butylbenzimidazol-5-yl)-2-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 7-(3-tert-butylbenzimidazol-5-yl)-2-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 7-(3-tert-butylbenzimidazol-5-yl)-2-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine is CCN1CCN(c2cc(-c3cnc4[nH]cc(-c5ccc6ncn(C(C)(C)C)c6c5)c4n3)ccn2)CC1.
What is the InChIKey of 7-(3-tert-butylbenzimidazol-5-yl)-2-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is AYIQVYJGMXNDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N8/c1-5-34-10-12-35(13-11-34)25-15-20(8-9-29-25)23-17-31-27-26(33-23)21(16-30-27)19-6-7-22-24(14-19)36(18-32-22)28(2,3)4/h6-9,14-18H,5,10-13H2,1-4H3,(H,30,31).
What are the key properties of 7-(3-tert-butylbenzimidazol-5-yl)-2-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine?
7-(3-tert-butylbenzimidazol-5-yl)-2-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 480.62 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-tert-butylbenzimidazol-5-yl)-2-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 122670195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).