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

C22H20ClN5O2 — CID 87050932

IUPACN-(5-chloro-2-methylphenyl)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)N1CCC(n2c(-c3ccco3)nc3cccnc32)C1
InChIInChI=1S/C22H20ClN5O2/c1-14-6-7-15(23)12-18(14)26-22(29)27-10-8-16(13-27)28-20-17(4-2-9-24-20)25-21(28)19-5-3-11-30-19/h2-7,9,11-12,16H,8,10,13H2,1H3,(H,26,29)
InChIKeyHLWCBJLPFBTKDX-UHFFFAOYSA-N
MW421.89 g/mol
LogP5.13
Rot. Bonds3

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

N-(5-chloro-2-methylphenyl)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide (PubChem CID 87050932) has the molecular formula C22H20ClN5O2 and a molecular weight of 421.89 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
PubChem CID87050932
Molecular FormulaC22H20ClN5O2
Molecular Weight421.89 g/mol
Exact Mass421.13
IUPAC NameN-(5-chloro-2-methylphenyl)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)N1CCC(n2c(-c3ccco3)nc3cccnc32)C1
InChIInChI=1S/C22H20ClN5O2/c1-14-6-7-15(23)12-18(14)26-22(29)27-10-8-16(13-27)28-20-17(4-2-9-24-20)25-21(28)19-5-3-11-30-19/h2-7,9,11-12,16H,8,10,13H2,1H3,(H,26,29)
InChIKeyHLWCBJLPFBTKDX-UHFFFAOYSA-N
XLogP5.13
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.89
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide (CID 87050932) is N-(5-chloro-2-methylphenyl)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide is Cc1ccc(Cl)cc1NC(=O)N1CCC(n2c(-c3ccco3)nc3cccnc32)C1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide?
The InChIKey is HLWCBJLPFBTKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O2/c1-14-6-7-15(23)12-18(14)26-22(29)27-10-8-16(13-27)28-20-17(4-2-9-24-20)25-21(28)19-5-3-11-30-19/h2-7,9,11-12,16H,8,10,13H2,1H3,(H,26,29).
What are the key properties of N-(5-chloro-2-methylphenyl)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide?
N-(5-chloro-2-methylphenyl)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide has a molecular weight of 421.89 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 87050932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).