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

C19H16N4O2S — CID 53186846

IUPAC[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCC(n2c(-c3ccoc3)nc3cccnc32)C1
InChIInChI=1S/C19H16N4O2S/c24-19(14-5-9-26-12-14)22-7-3-15(10-22)23-17(13-4-8-25-11-13)21-16-2-1-6-20-18(16)23/h1-2,4-6,8-9,11-12,15H,3,7,10H2
InChIKeyCGBJZNXWYMPTMH-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.84
Rot. Bonds3

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

[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 53186846) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is [3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-thiophen-3-ylmethanone
PubChem CID53186846
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCC(n2c(-c3ccoc3)nc3cccnc32)C1
InChIInChI=1S/C19H16N4O2S/c24-19(14-5-9-26-12-14)22-7-3-15(10-22)23-17(13-4-8-25-11-13)21-16-2-1-6-20-18(16)23/h1-2,4-6,8-9,11-12,15H,3,7,10H2
InChIKeyCGBJZNXWYMPTMH-UHFFFAOYSA-N
XLogP3.84
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-thiophen-3-ylmethanone (CID 53186846) is [3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCC(n2c(-c3ccoc3)nc3cccnc32)C1.
What is the InChIKey of [3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is CGBJZNXWYMPTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c24-19(14-5-9-26-12-14)22-7-3-15(10-22)23-17(13-4-8-25-11-13)21-16-2-1-6-20-18(16)23/h1-2,4-6,8-9,11-12,15H,3,7,10H2.
What are the key properties of [3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-thiophen-3-ylmethanone?
[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 364.43 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 53186846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).