(3-chloro-4-fluorophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone

C21H16ClFN4O2 — CID 87050862

IUPAC(3-chloro-4-fluorophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(F)c(Cl)c1)N1CCC(n2c(-c3ccco3)nc3cccnc32)C1
InChIInChI=1S/C21H16ClFN4O2/c22-15-11-13(5-6-16(15)23)21(28)26-9-7-14(12-26)27-19-17(3-1-8-24-19)25-20(27)18-4-2-10-29-18/h1-6,8,10-11,14H,7,9,12H2
InChIKeyYREOFDBAJZODAH-UHFFFAOYSA-N
MW410.84 g/mol
LogP4.57
Rot. Bonds3

About (3-chloro-4-fluorophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone

(3-chloro-4-fluorophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone (PubChem CID 87050862) has the molecular formula C21H16ClFN4O2 and a molecular weight of 410.84 g/mol. Its IUPAC name is (3-chloro-4-fluorophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chloro-4-fluorophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
PubChem CID87050862
Molecular FormulaC21H16ClFN4O2
Molecular Weight410.84 g/mol
Exact Mass410.09
IUPAC Name(3-chloro-4-fluorophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(F)c(Cl)c1)N1CCC(n2c(-c3ccco3)nc3cccnc32)C1
InChIInChI=1S/C21H16ClFN4O2/c22-15-11-13(5-6-16(15)23)21(28)26-9-7-14(12-26)27-19-17(3-1-8-24-19)25-20(27)18-4-2-10-29-18/h1-6,8,10-11,14H,7,9,12H2
InChIKeyYREOFDBAJZODAH-UHFFFAOYSA-N
XLogP4.57
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.84
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluorophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (3-chloro-4-fluorophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone (CID 87050862) is (3-chloro-4-fluorophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-chloro-4-fluorophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-chloro-4-fluorophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone is O=C(c1ccc(F)c(Cl)c1)N1CCC(n2c(-c3ccco3)nc3cccnc32)C1.
What is the InChIKey of (3-chloro-4-fluorophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
The InChIKey is YREOFDBAJZODAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN4O2/c22-15-11-13(5-6-16(15)23)21(28)26-9-7-14(12-26)27-19-17(3-1-8-24-19)25-20(27)18-4-2-10-29-18/h1-6,8,10-11,14H,7,9,12H2.
What are the key properties of (3-chloro-4-fluorophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
(3-chloro-4-fluorophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone has a molecular weight of 410.84 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-fluorophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 87050862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).