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

C21H17ClN4O2 — CID 87050852

IUPAC(3-chlorophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCC(n2c(-c3ccco3)nc3cccnc32)C1
InChIInChI=1S/C21H17ClN4O2/c22-15-5-1-4-14(12-15)21(27)25-10-8-16(13-25)26-19-17(6-2-9-23-19)24-20(26)18-7-3-11-28-18/h1-7,9,11-12,16H,8,10,13H2
InChIKeyNSGFWYMTTOBHIO-UHFFFAOYSA-N
MW392.85 g/mol
LogP4.43
Rot. Bonds3

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

(3-chlorophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone (PubChem CID 87050852) has the molecular formula C21H17ClN4O2 and a molecular weight of 392.85 g/mol. Its IUPAC name is (3-chlorophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
PubChem CID87050852
Molecular FormulaC21H17ClN4O2
Molecular Weight392.85 g/mol
Exact Mass392.10
IUPAC Name(3-chlorophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCC(n2c(-c3ccco3)nc3cccnc32)C1
InChIInChI=1S/C21H17ClN4O2/c22-15-5-1-4-14(12-15)21(27)25-10-8-16(13-25)26-19-17(6-2-9-23-19)24-20(26)18-7-3-11-28-18/h1-7,9,11-12,16H,8,10,13H2
InChIKeyNSGFWYMTTOBHIO-UHFFFAOYSA-N
XLogP4.43
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone (CID 87050852) is (3-chlorophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone is O=C(c1cccc(Cl)c1)N1CCC(n2c(-c3ccco3)nc3cccnc32)C1.
What is the InChIKey of (3-chlorophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
The InChIKey is NSGFWYMTTOBHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O2/c22-15-5-1-4-14(12-15)21(27)25-10-8-16(13-25)26-19-17(6-2-9-23-19)24-20(26)18-7-3-11-28-18/h1-7,9,11-12,16H,8,10,13H2.
What are the key properties of (3-chlorophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
(3-chlorophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone has a molecular weight of 392.85 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 87050852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).