1-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-2-thiophen-3-ylethanone

C20H18N4O2S — CID 53186875

IUPAC1-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCC(n2c(-c3ccco3)nc3cccnc32)C1
InChIInChI=1S/C20H18N4O2S/c25-18(11-14-6-10-27-13-14)23-8-5-15(12-23)24-19-16(3-1-7-21-19)22-20(24)17-4-2-9-26-17/h1-4,6-7,9-10,13,15H,5,8,11-12H2
InChIKeyAPFWMJBZOZNUJP-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.77
Rot. Bonds4

About 1-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-2-thiophen-3-ylethanone

1-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-2-thiophen-3-ylethanone (PubChem CID 53186875) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is 1-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-2-thiophen-3-ylethanone
PubChem CID53186875
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC Name1-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCC(n2c(-c3ccco3)nc3cccnc32)C1
InChIInChI=1S/C20H18N4O2S/c25-18(11-14-6-10-27-13-14)23-8-5-15(12-23)24-19-16(3-1-7-21-19)22-20(24)17-4-2-9-26-17/h1-4,6-7,9-10,13,15H,5,8,11-12H2
InChIKeyAPFWMJBZOZNUJP-UHFFFAOYSA-N
XLogP3.77
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(furan-2-yl)-5-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
CID 145971923
2-(3-Benzyl-3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-furan-2-ylmethyl-acetamide
CID 646123
Furan-2-ylmethyl-[(1-phenethyl-1H-tetrazol-5-yl)-pyridin-2-yl-methyl]-thiophen-2-ylmethyl-amine
CID 650607
2-(3-Ethyl-3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-furan-2-ylmethyl-acetamide
CID 651858
2-[3-(1H-Benzoimidazol-2-yl)-pyridin-2-ylsulfanyl]-N-furan-2-ylmethyl-acetamide
CID 656134
N-(2-furanylmethyl)-4-(2-methyl-3-imidazo[1,2-a]pyridinyl)-2-thiazolamine
CID 697312
N-[(Furan-2-YL)methyl]-4-[(2-{[(4-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-B]pyridin-3-YL)methyl]benzamide
CID 16020878
N-(furan-2-carbonyl)-N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)furan-2-carboxamide
CID 127037424
6-(2-Furyl)-3-(3-thienyl)imidazo [1,2-a]pyrazine
CID 117769709
Furan-2-carboxylic acid {4-[4-((R)-pyrrolidin-3-ylamino)-thieno[3,2-d]pyrimidin-2-yl]-pyridin-2-yl}-amide
CID 89596378
2-Propenamide, 2-cyano-3-[5-(1-cyclohexyl-1,6-dihydro-6-methylimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl)-2-furanyl]-N,N-dimethyl-
CID 136213036
N-Furan-2-ylmethyl-2-[3-(2-methoxy-ethyl)-3H-imidazo[4,5-b]pyridin-2-ylsulfanyl]-acetamide
CID 650868

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-2-thiophen-3-ylethanone (CID 53186875) is 1-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-2-thiophen-3-ylethanone is O=C(Cc1ccsc1)N1CCC(n2c(-c3ccco3)nc3cccnc32)C1.
What is the InChIKey of 1-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-2-thiophen-3-ylethanone?
The InChIKey is APFWMJBZOZNUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c25-18(11-14-6-10-27-13-14)23-8-5-15(12-23)24-19-16(3-1-7-21-19)22-20(24)17-4-2-9-26-17/h1-4,6-7,9-10,13,15H,5,8,11-12H2.
What are the key properties of 1-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-2-thiophen-3-ylethanone?
1-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-2-thiophen-3-ylethanone has a molecular weight of 378.46 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 53186875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).