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

C21H18ClN5O2 — CID 87050912

IUPACN-(3-chlorophenyl)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCC(n2c(-c3ccco3)nc3cccnc32)C1
InChIInChI=1S/C21H18ClN5O2/c22-14-4-1-5-15(12-14)24-21(28)26-10-8-16(13-26)27-19-17(6-2-9-23-19)25-20(27)18-7-3-11-29-18/h1-7,9,11-12,16H,8,10,13H2,(H,24,28)
InChIKeyQWKVIVLKUILZNF-UHFFFAOYSA-N
MW407.86 g/mol
LogP4.82
Rot. Bonds3

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

N-(3-chlorophenyl)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide (PubChem CID 87050912) has the molecular formula C21H18ClN5O2 and a molecular weight of 407.86 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
PubChem CID87050912
Molecular FormulaC21H18ClN5O2
Molecular Weight407.86 g/mol
Exact Mass407.11
IUPAC NameN-(3-chlorophenyl)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCC(n2c(-c3ccco3)nc3cccnc32)C1
InChIInChI=1S/C21H18ClN5O2/c22-14-4-1-5-15(12-14)24-21(28)26-10-8-16(13-26)27-19-17(6-2-9-23-19)25-20(27)18-7-3-11-29-18/h1-7,9,11-12,16H,8,10,13H2,(H,24,28)
InChIKeyQWKVIVLKUILZNF-UHFFFAOYSA-N
XLogP4.82
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.86
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide (CID 87050912) is N-(3-chlorophenyl)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide is O=C(Nc1cccc(Cl)c1)N1CCC(n2c(-c3ccco3)nc3cccnc32)C1.
What is the InChIKey of N-(3-chlorophenyl)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide?
The InChIKey is QWKVIVLKUILZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O2/c22-14-4-1-5-15(12-14)24-21(28)26-10-8-16(13-26)27-19-17(6-2-9-23-19)25-20(27)18-7-3-11-29-18/h1-7,9,11-12,16H,8,10,13H2,(H,24,28).
What are the key properties of N-(3-chlorophenyl)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide?
N-(3-chlorophenyl)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide has a molecular weight of 407.86 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 87050912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).