N-(4-fluorophenyl)-3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide

C21H18FN5O2 — CID 87050891

IUPACN-(4-fluorophenyl)-3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCC(n2c(-c3ccoc3)nc3cccnc32)C1
InChIInChI=1S/C21H18FN5O2/c22-15-3-5-16(6-4-15)24-21(28)26-10-7-17(12-26)27-19(14-8-11-29-13-14)25-18-2-1-9-23-20(18)27/h1-6,8-9,11,13,17H,7,10,12H2,(H,24,28)
InChIKeyZLZFSBLJVVAQKM-UHFFFAOYSA-N
MW391.41 g/mol
LogP4.31
Rot. Bonds3

About N-(4-fluorophenyl)-3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide

N-(4-fluorophenyl)-3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide (PubChem CID 87050891) has the molecular formula C21H18FN5O2 and a molecular weight of 391.41 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
PubChem CID87050891
Molecular FormulaC21H18FN5O2
Molecular Weight391.41 g/mol
Exact Mass391.14
IUPAC NameN-(4-fluorophenyl)-3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCC(n2c(-c3ccoc3)nc3cccnc32)C1
InChIInChI=1S/C21H18FN5O2/c22-15-3-5-16(6-4-15)24-21(28)26-10-7-17(12-26)27-19(14-8-11-29-13-14)25-18-2-1-9-23-20(18)27/h1-6,8-9,11,13,17H,7,10,12H2,(H,24,28)
InChIKeyZLZFSBLJVVAQKM-UHFFFAOYSA-N
XLogP4.31
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide (CID 87050891) is N-(4-fluorophenyl)-3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide is O=C(Nc1ccc(F)cc1)N1CCC(n2c(-c3ccoc3)nc3cccnc32)C1.
What is the InChIKey of N-(4-fluorophenyl)-3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide?
The InChIKey is ZLZFSBLJVVAQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O2/c22-15-3-5-16(6-4-15)24-21(28)26-10-7-17(12-26)27-19(14-8-11-29-13-14)25-18-2-1-9-23-20(18)27/h1-6,8-9,11,13,17H,7,10,12H2,(H,24,28).
What are the key properties of N-(4-fluorophenyl)-3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide?
N-(4-fluorophenyl)-3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide has a molecular weight of 391.41 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 87050891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).