2-imidazo[1,5-a]pyridin-3-ylsulfanyl-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone

C18H18N4O2S — CID 17443156

IUPAC2-imidazo[1,5-a]pyridin-3-ylsulfanyl-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
SMILESO=C(CSc1ncc2ccccn12)c1c[nH]c(C(=O)N2CCCC2)c1
InChIInChI=1S/C18H18N4O2S/c23-16(12-25-18-20-11-14-5-1-2-8-22(14)18)13-9-15(19-10-13)17(24)21-6-3-4-7-21/h1-2,5,8-11,19H,3-4,6-7,12H2
InChIKeyBYRDOYFJVHIBRG-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.87
Rot. Bonds5

About 2-imidazo[1,5-a]pyridin-3-ylsulfanyl-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone

2-imidazo[1,5-a]pyridin-3-ylsulfanyl-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone (PubChem CID 17443156) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 2-imidazo[1,5-a]pyridin-3-ylsulfanyl-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone.

Molecular Properties

Compound Name2-imidazo[1,5-a]pyridin-3-ylsulfanyl-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
PubChem CID17443156
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name2-imidazo[1,5-a]pyridin-3-ylsulfanyl-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
SMILESO=C(CSc1ncc2ccccn12)c1c[nH]c(C(=O)N2CCCC2)c1
InChIInChI=1S/C18H18N4O2S/c23-16(12-25-18-20-11-14-5-1-2-8-22(14)18)13-9-15(19-10-13)17(24)21-6-3-4-7-21/h1-2,5,8-11,19H,3-4,6-7,12H2
InChIKeyBYRDOYFJVHIBRG-UHFFFAOYSA-N
XLogP2.87
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 40739487
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CID 24602535
1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone
CID 38965931
3-(3-hydroxypropyl)-2-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]sulfanylquinazolin-4-one
CID 24523632
benzhydryl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]azanium
CID 9445986
2-[(2-bromophenyl)methylsulfanyl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 55436712
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CID 27269906
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CID 17459420
2-(1-adamantylsulfanyl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 9478177
2-(4-benzoylpiperidin-1-yl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 33214961
2-[[4-cyclohexyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 24522536
2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 2-imidazo[1,5-a]pyridin-3-ylsulfanyl-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone?
The IUPAC name of 2-imidazo[1,5-a]pyridin-3-ylsulfanyl-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone (CID 17443156) is 2-imidazo[1,5-a]pyridin-3-ylsulfanyl-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone.
What is the SMILES notation for 2-imidazo[1,5-a]pyridin-3-ylsulfanyl-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone?
The canonical SMILES for 2-imidazo[1,5-a]pyridin-3-ylsulfanyl-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone is O=C(CSc1ncc2ccccn12)c1c[nH]c(C(=O)N2CCCC2)c1.
What is the InChIKey of 2-imidazo[1,5-a]pyridin-3-ylsulfanyl-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone?
The InChIKey is BYRDOYFJVHIBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c23-16(12-25-18-20-11-14-5-1-2-8-22(14)18)13-9-15(19-10-13)17(24)21-6-3-4-7-21/h1-2,5,8-11,19H,3-4,6-7,12H2.
What are the key properties of 2-imidazo[1,5-a]pyridin-3-ylsulfanyl-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone?
2-imidazo[1,5-a]pyridin-3-ylsulfanyl-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone has a molecular weight of 354.44 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[1,5-a]pyridin-3-ylsulfanyl-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone is sourced from PubChem (CID 17443156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).