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

C20H18N4O2S — CID 53186852

IUPAC1-[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCC(n2c(-c3ccoc3)nc3cccnc32)C1
InChIInChI=1S/C20H18N4O2S/c25-18(10-14-5-9-27-13-14)23-7-3-16(11-23)24-19(15-4-8-26-12-15)22-17-2-1-6-21-20(17)24/h1-2,4-6,8-9,12-13,16H,3,7,10-11H2
InChIKeyBAEKCYKZOIGOJE-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.77
Rot. Bonds4

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

1-[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-2-thiophen-3-ylethanone (PubChem CID 53186852) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is 1-[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-2-thiophen-3-ylethanone
PubChem CID53186852
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC Name1-[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCC(n2c(-c3ccoc3)nc3cccnc32)C1
InChIInChI=1S/C20H18N4O2S/c25-18(10-14-5-9-27-13-14)23-7-3-16(11-23)24-19(15-4-8-26-12-15)22-17-2-1-6-21-20(17)24/h1-2,4-6,8-9,12-13,16H,3,7,10-11H2
InChIKeyBAEKCYKZOIGOJE-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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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-2-thiophen-3-ylethanone (CID 53186852) is 1-[3-[2-(furan-3-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-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-2-thiophen-3-ylethanone is O=C(Cc1ccsc1)N1CCC(n2c(-c3ccoc3)nc3cccnc32)C1.
What is the InChIKey of 1-[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-2-thiophen-3-ylethanone?
The InChIKey is BAEKCYKZOIGOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c25-18(10-14-5-9-27-13-14)23-7-3-16(11-23)24-19(15-4-8-26-12-15)22-17-2-1-6-21-20(17)24/h1-2,4-6,8-9,12-13,16H,3,7,10-11H2.
What are the key properties of 1-[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-2-thiophen-3-ylethanone?
1-[3-[2-(furan-3-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-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 53186852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).