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

C27H29N9 — CID 122670217

IUPAC2-(2-piperazin-1-yl-4-pyridinyl)-7-(3-piperidin-3-ylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazine
SMILESc1cc(-c2cnc3[nH]cc(-c4ccc5ncn(C6CCCNC6)c5c4)c3n2)cc(N2CCNCC2)n1
InChIInChI=1S/C27H29N9/c1-2-20(14-29-6-1)36-17-33-22-4-3-18(12-24(22)36)21-15-31-27-26(21)34-23(16-32-27)19-5-7-30-25(13-19)35-10-8-28-9-11-35/h3-5,7,12-13,15-17,20,28-29H,1-2,6,8-11,14H2,(H,31,32)
InChIKeyGGFIRASXSZJFAA-UHFFFAOYSA-N
MW479.59 g/mol
LogP3.37
Rot. Bonds4

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

2-(2-piperazin-1-yl-4-pyridinyl)-7-(3-piperidin-3-ylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 122670217) has the molecular formula C27H29N9 and a molecular weight of 479.59 g/mol. Its IUPAC name is 2-(2-piperazin-1-yl-4-pyridinyl)-7-(3-piperidin-3-ylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name2-(2-piperazin-1-yl-4-pyridinyl)-7-(3-piperidin-3-ylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazine
PubChem CID122670217
Molecular FormulaC27H29N9
Molecular Weight479.59 g/mol
Exact Mass479.25
IUPAC Name2-(2-piperazin-1-yl-4-pyridinyl)-7-(3-piperidin-3-ylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazine
SMILESc1cc(-c2cnc3[nH]cc(-c4ccc5ncn(C6CCCNC6)c5c4)c3n2)cc(N2CCNCC2)n1
InChIInChI=1S/C27H29N9/c1-2-20(14-29-6-1)36-17-33-22-4-3-18(12-24(22)36)21-15-31-27-26(21)34-23(16-32-27)19-5-7-30-25(13-19)35-10-8-28-9-11-35/h3-5,7,12-13,15-17,20,28-29H,1-2,6,8-11,14H2,(H,31,32)
InChIKeyGGFIRASXSZJFAA-UHFFFAOYSA-N
XLogP3.37
TPSA99.58 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.59
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

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
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-(3-piperidin-3-ylbenzimidazol-5-yl)-2-(4-piperidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 122608495
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-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine
CID 122670195
5-[1-(difluoromethyl)pyrazol-4-yl]-3-(3-piperidin-3-ylbenzimidazol-5-yl)-1H-pyrrolo[2,3-b]pyridine
CID 122608740
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
7-(3-tert-butylbenzimidazol-5-yl)-2-(3-piperidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 122608955
5-[7-(3-tert-butylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-N-cyclopropylpyrimidin-2-amine
CID 122670278
1-piperidin-3-yl-6-[5-[[3-(trifluoromethoxy)phenyl]sulfonylmethyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzimidazole
CID 148801705
7-(6-piperidin-1-yl-3-pyridinyl)-2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazine
CID 90105575

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperazin-1-yl-4-pyridinyl)-7-(3-piperidin-3-ylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 2-(2-piperazin-1-yl-4-pyridinyl)-7-(3-piperidin-3-ylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazine (CID 122670217) is 2-(2-piperazin-1-yl-4-pyridinyl)-7-(3-piperidin-3-ylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 2-(2-piperazin-1-yl-4-pyridinyl)-7-(3-piperidin-3-ylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 2-(2-piperazin-1-yl-4-pyridinyl)-7-(3-piperidin-3-ylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazine is c1cc(-c2cnc3[nH]cc(-c4ccc5ncn(C6CCCNC6)c5c4)c3n2)cc(N2CCNCC2)n1.
What is the InChIKey of 2-(2-piperazin-1-yl-4-pyridinyl)-7-(3-piperidin-3-ylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is GGFIRASXSZJFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N9/c1-2-20(14-29-6-1)36-17-33-22-4-3-18(12-24(22)36)21-15-31-27-26(21)34-23(16-32-27)19-5-7-30-25(13-19)35-10-8-28-9-11-35/h3-5,7,12-13,15-17,20,28-29H,1-2,6,8-11,14H2,(H,31,32).
What are the key properties of 2-(2-piperazin-1-yl-4-pyridinyl)-7-(3-piperidin-3-ylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazine?
2-(2-piperazin-1-yl-4-pyridinyl)-7-(3-piperidin-3-ylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 479.59 g/mol, XLogP of 3.37, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperazin-1-yl-4-pyridinyl)-7-(3-piperidin-3-ylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 122670217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).