5-(3-methylbenzimidazol-5-yl)-3-(3-pyrrolidin-1-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazine

C25H23N5O2S — CID 158947619

IUPAC5-(3-methylbenzimidazol-5-yl)-3-(3-pyrrolidin-1-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazine
SMILESCn1cnc2ccc(C3=CCc4ncc(-c5cccc(S(=O)(=O)N6CCCC6)c5)nc43)cc21
InChIInChI=1S/C25H23N5O2S/c1-29-16-27-21-9-7-17(14-24(21)29)20-8-10-22-25(20)28-23(15-26-22)18-5-4-6-19(13-18)33(31,32)30-11-2-3-12-30/h4-9,13-16H,2-3,10-12H2,1H3
InChIKeyJLACLAXFCHYWHY-UHFFFAOYSA-N
MW457.56 g/mol
LogP3.80
Rot. Bonds4

About 5-(3-methylbenzimidazol-5-yl)-3-(3-pyrrolidin-1-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazine

5-(3-methylbenzimidazol-5-yl)-3-(3-pyrrolidin-1-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazine (PubChem CID 158947619) has the molecular formula C25H23N5O2S and a molecular weight of 457.56 g/mol. Its IUPAC name is 5-(3-methylbenzimidazol-5-yl)-3-(3-pyrrolidin-1-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazine.

Molecular Properties

Compound Name5-(3-methylbenzimidazol-5-yl)-3-(3-pyrrolidin-1-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazine
PubChem CID158947619
Molecular FormulaC25H23N5O2S
Molecular Weight457.56 g/mol
Exact Mass457.16
IUPAC Name5-(3-methylbenzimidazol-5-yl)-3-(3-pyrrolidin-1-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazine
SMILESCn1cnc2ccc(C3=CCc4ncc(-c5cccc(S(=O)(=O)N6CCCC6)c5)nc43)cc21
InChIInChI=1S/C25H23N5O2S/c1-29-16-27-21-9-7-17(14-24(21)29)20-8-10-22-25(20)28-23(15-26-22)18-5-4-6-19(13-18)33(31,32)30-11-2-3-12-30/h4-9,13-16H,2-3,10-12H2,1H3
InChIKeyJLACLAXFCHYWHY-UHFFFAOYSA-N
XLogP3.80
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.56
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[5-(3-methylbenzimidazol-5-yl)-7H-cyclopenta[b]pyrazin-3-yl]phenyl]-1,2-thiazolidine 1,1-dioxide
CID 157391502
5-(azepan-1-ylsulfonyl)-1-methylbenzimidazole
CID 110760298
2-(3-pyrrolidin-1-ylsulfonylphenyl)pyridin-3-ol
CID 53218283
3-[3-(4-ethylpiperazin-1-yl)phenyl]-5-(3-piperidin-3-ylbenzimidazol-5-yl)-7H-cyclopenta[b]pyrazine
CID 158280611
2-[6-[3-(2-methoxy-4-pyridinyl)-7H-cyclopenta[b]pyrazin-5-yl]benzimidazol-1-yl]-2-methylpropan-1-ol
CID 159490358
2-(3-pyrrolidin-1-ylsulfonylphenyl)imidazo[1,2-a]pyrimidine
CID 938226
(3-quinoxalin-2-ylphenyl) 3-pyrrolidin-1-ylsulfonylbenzoate
CID 56690922
1-methyl-6-phenylbenzimidazole
CID 135028518
2-phenyl-4-(3-piperidin-1-ylsulfonylphenyl)-1,3-thiazole
CID 1034342
1-[4-(1-methylbenzimidazol-5-yl)sulfonyl-1,4-diazepan-1-yl]ethanone
CID 110796418
2-hydroxy-4-(3-pyrrolidin-1-ylsulfonylphenyl)benzaldehyde
CID 53220672
2-(3-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazole
CID 2130217

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbenzimidazol-5-yl)-3-(3-pyrrolidin-1-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazine?
The IUPAC name of 5-(3-methylbenzimidazol-5-yl)-3-(3-pyrrolidin-1-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazine (CID 158947619) is 5-(3-methylbenzimidazol-5-yl)-3-(3-pyrrolidin-1-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazine.
What is the SMILES notation for 5-(3-methylbenzimidazol-5-yl)-3-(3-pyrrolidin-1-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazine?
The canonical SMILES for 5-(3-methylbenzimidazol-5-yl)-3-(3-pyrrolidin-1-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazine is Cn1cnc2ccc(C3=CCc4ncc(-c5cccc(S(=O)(=O)N6CCCC6)c5)nc43)cc21.
What is the InChIKey of 5-(3-methylbenzimidazol-5-yl)-3-(3-pyrrolidin-1-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazine?
The InChIKey is JLACLAXFCHYWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2S/c1-29-16-27-21-9-7-17(14-24(21)29)20-8-10-22-25(20)28-23(15-26-22)18-5-4-6-19(13-18)33(31,32)30-11-2-3-12-30/h4-9,13-16H,2-3,10-12H2,1H3.
What are the key properties of 5-(3-methylbenzimidazol-5-yl)-3-(3-pyrrolidin-1-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazine?
5-(3-methylbenzimidazol-5-yl)-3-(3-pyrrolidin-1-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazine has a molecular weight of 457.56 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbenzimidazol-5-yl)-3-(3-pyrrolidin-1-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazine is sourced from PubChem (CID 158947619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).