7-(3-piperidin-3-ylbenzimidazol-5-yl)-2-(4-piperidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazine

C29H31N7 — CID 122608495

IUPAC7-(3-piperidin-3-ylbenzimidazol-5-yl)-2-(4-piperidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazine
SMILESc1cc(N2CCCCC2)ccc1-c1cnc2[nH]cc(-c3ccc4ncn(C5CCCNC5)c4c3)c2n1
InChIInChI=1S/C29H31N7/c1-2-13-35(14-3-1)22-9-6-20(7-10-22)26-18-32-29-28(34-26)24(17-31-29)21-8-11-25-27(15-21)36(19-33-25)23-5-4-12-30-16-23/h6-11,15,17-19,23,30H,1-5,12-14,16H2,(H,31,32)
InChIKeyZJZKJALXZHHGTI-UHFFFAOYSA-N
MW477.62 g/mol
LogP5.56
Rot. Bonds4

About 7-(3-piperidin-3-ylbenzimidazol-5-yl)-2-(4-piperidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazine

7-(3-piperidin-3-ylbenzimidazol-5-yl)-2-(4-piperidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 122608495) has the molecular formula C29H31N7 and a molecular weight of 477.62 g/mol. Its IUPAC name is 7-(3-piperidin-3-ylbenzimidazol-5-yl)-2-(4-piperidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name7-(3-piperidin-3-ylbenzimidazol-5-yl)-2-(4-piperidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazine
PubChem CID122608495
Molecular FormulaC29H31N7
Molecular Weight477.62 g/mol
Exact Mass477.26
IUPAC Name7-(3-piperidin-3-ylbenzimidazol-5-yl)-2-(4-piperidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazine
SMILESc1cc(N2CCCCC2)ccc1-c1cnc2[nH]cc(-c3ccc4ncn(C5CCCNC5)c4c3)c2n1
InChIInChI=1S/C29H31N7/c1-2-13-35(14-3-1)22-9-6-20(7-10-22)26-18-32-29-28(34-26)24(17-31-29)21-8-11-25-27(15-21)36(19-33-25)23-5-4-12-30-16-23/h6-11,15,17-19,23,30H,1-5,12-14,16H2,(H,31,32)
InChIKeyZJZKJALXZHHGTI-UHFFFAOYSA-N
XLogP5.56
TPSA74.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.62
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-piperazin-1-yl-4-pyridinyl)-7-(3-piperidin-3-ylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 122670217
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
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
7-(3-tert-butylbenzimidazol-5-yl)-2-(3-piperidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 122608955
5-[1-(difluoromethyl)pyrazol-4-yl]-3-(3-piperidin-3-ylbenzimidazol-5-yl)-1H-pyrrolo[2,3-b]pyridine
CID 122608740
4-[4-[5-(3-piperidin-3-ylbenzimidazol-5-yl)-7H-cyclopenta[b]pyrazin-3-yl]-2-pyridinyl]morpholine
CID 159202024
7-(3-tert-butylbenzimidazol-5-yl)-2-[4-(4-ethylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine
CID 122608698
3-[3-(4-ethylpiperazin-1-yl)phenyl]-5-(3-piperidin-3-ylbenzimidazol-5-yl)-7H-cyclopenta[b]pyrazine
CID 158280611
N-[3-[3-(3-piperidin-3-ylbenzimidazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]propane-2-sulfonamide
CID 122608763
1-cyclohexyl-6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)benzimidazole
CID 122608897
1-piperidin-3-yl-6-[5-[[3-(trifluoromethoxy)phenyl]sulfonylmethyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzimidazole
CID 148801705
5-[7-(3-tert-butylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-N-cyclopropylpyrimidin-2-amine
CID 122670278

Frequently Asked Questions

What is the IUPAC name of 7-(3-piperidin-3-ylbenzimidazol-5-yl)-2-(4-piperidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 7-(3-piperidin-3-ylbenzimidazol-5-yl)-2-(4-piperidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazine (CID 122608495) is 7-(3-piperidin-3-ylbenzimidazol-5-yl)-2-(4-piperidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 7-(3-piperidin-3-ylbenzimidazol-5-yl)-2-(4-piperidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 7-(3-piperidin-3-ylbenzimidazol-5-yl)-2-(4-piperidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazine is c1cc(N2CCCCC2)ccc1-c1cnc2[nH]cc(-c3ccc4ncn(C5CCCNC5)c4c3)c2n1.
What is the InChIKey of 7-(3-piperidin-3-ylbenzimidazol-5-yl)-2-(4-piperidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is ZJZKJALXZHHGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N7/c1-2-13-35(14-3-1)22-9-6-20(7-10-22)26-18-32-29-28(34-26)24(17-31-29)21-8-11-25-27(15-21)36(19-33-25)23-5-4-12-30-16-23/h6-11,15,17-19,23,30H,1-5,12-14,16H2,(H,31,32).
What are the key properties of 7-(3-piperidin-3-ylbenzimidazol-5-yl)-2-(4-piperidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazine?
7-(3-piperidin-3-ylbenzimidazol-5-yl)-2-(4-piperidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 477.62 g/mol, XLogP of 5.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-piperidin-3-ylbenzimidazol-5-yl)-2-(4-piperidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 122608495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).