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

C26H26N8O2S — CID 122670212

IUPAC2-[4-[7-(3-piperidin-3-ylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-pyridinyl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1c1cc(-c2cnc3[nH]cc(-c4ccc5ncn(C6CCCNC6)c5c4)c3n2)ccn1
InChIInChI=1S/C26H26N8O2S/c35-37(36)10-2-9-34(37)24-12-18(6-8-28-24)22-15-30-26-25(32-22)20(14-29-26)17-4-5-21-23(11-17)33(16-31-21)19-3-1-7-27-13-19/h4-6,8,11-12,14-16,19,27H,1-3,7,9-10,13H2,(H,29,30)
InChIKeyDDINMLLRMMYAIU-UHFFFAOYSA-N
MW514.62 g/mol
LogP3.50
Rot. Bonds4

About 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

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 (PubChem CID 122670212) has the molecular formula C26H26N8O2S and a molecular weight of 514.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[4-[7-(3-piperidin-3-ylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-pyridinyl]-1,2-thiazolidine 1,1-dioxide
PubChem CID122670212
Molecular FormulaC26H26N8O2S
Molecular Weight514.62 g/mol
Exact Mass514.19
IUPAC Name2-[4-[7-(3-piperidin-3-ylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-pyridinyl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1c1cc(-c2cnc3[nH]cc(-c4ccc5ncn(C6CCCNC6)c5c4)c3n2)ccn1
InChIInChI=1S/C26H26N8O2S/c35-37(36)10-2-9-34(37)24-12-18(6-8-28-24)22-15-30-26-25(32-22)20(14-29-26)17-4-5-21-23(11-17)33(16-31-21)19-3-1-7-27-13-19/h4-6,8,11-12,14-16,19,27H,1-3,7,9-10,13H2,(H,29,30)
InChIKeyDDINMLLRMMYAIU-UHFFFAOYSA-N
XLogP3.50
TPSA121.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.62
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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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]thiazinane 1,1-dioxide
CID 122670210
2-(2-piperazin-1-yl-4-pyridinyl)-7-(3-piperidin-3-ylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 122670217
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
5-[1-(difluoromethyl)pyrazol-4-yl]-3-(3-piperidin-3-ylbenzimidazol-5-yl)-1H-pyrrolo[2,3-b]pyridine
CID 122608740
7-(3-tert-butylbenzimidazol-5-yl)-2-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine
CID 122670195
N-[3-[3-(3-piperidin-3-ylbenzimidazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]propane-2-sulfonamide
CID 122608763
N-methyl-N-[3-[7-(3-methylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methanesulfonamide
CID 122608983
3-[3-(4-ethylpiperazin-1-yl)phenyl]-5-(3-piperidin-3-ylbenzimidazol-5-yl)-7H-cyclopenta[b]pyrazine
CID 158280611
5-[7-(3-tert-butylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-N-cyclopropylpyrimidin-2-amine
CID 122670278
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=S1(=O)CCCN1c1cc(-c2cnc3[nH]cc(-c4ccc5ncn(C6CCCNC6)c5c4)c3n2)ccn1.
What is the InChIKey of 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?
The InChIKey is DDINMLLRMMYAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8O2S/c35-37(36)10-2-9-34(37)24-12-18(6-8-28-24)22-15-30-26-25(32-22)20(14-29-26)17-4-5-21-23(11-17)33(16-31-21)19-3-1-7-27-13-19/h4-6,8,11-12,14-16,19,27H,1-3,7,9-10,13H2,(H,29,30).
What are the key properties of 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?
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 has a molecular weight of 514.62 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 122670212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).