2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

C22H25N5O3 — CID 71841482

IUPAC2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESCc1ccc(-n2c(=O)n(CC(=O)NCCCN3CCCC3=O)c3cccnc32)cc1
InChIInChI=1S/C22H25N5O3/c1-16-7-9-17(10-8-16)27-21-18(5-2-11-24-21)26(22(27)30)15-19(28)23-12-4-14-25-13-3-6-20(25)29/h2,5,7-11H,3-4,6,12-15H2,1H3,(H,23,28)
InChIKeyPCSMCYOGVAXXFB-UHFFFAOYSA-N
MW407.47 g/mol
LogP1.62
Rot. Bonds7

About 2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (PubChem CID 71841482) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
PubChem CID71841482
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESCc1ccc(-n2c(=O)n(CC(=O)NCCCN3CCCC3=O)c3cccnc32)cc1
InChIInChI=1S/C22H25N5O3/c1-16-7-9-17(10-8-16)27-21-18(5-2-11-24-21)26(22(27)30)15-19(28)23-12-4-14-25-13-3-6-20(25)29/h2,5,7-11H,3-4,6,12-15H2,1H3,(H,23,28)
InChIKeyPCSMCYOGVAXXFB-UHFFFAOYSA-N
XLogP1.62
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-propylacetamide
CID 71841486
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide
CID 53159323
N-(3-methoxypropyl)-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide
CID 53159278
N-[(2-fluorophenyl)methyl]-2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide
CID 71841450
2-[3-(4-methoxyphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 71841399
N-[(4-ethoxyphenyl)methyl]-2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide
CID 71841414
N-[(2,4-difluorophenyl)methyl]-2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide
CID 71841449
2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 53144349
2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-(1-phenylethyl)acetamide
CID 71841464
N-[2-[(2S)-2-ethylpiperidin-1-yl]ethyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide
CID 95099407
N-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-2-(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)acetamide
CID 44828480
2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 20968345

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The IUPAC name of 2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (CID 71841482) is 2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is Cc1ccc(-n2c(=O)n(CC(=O)NCCCN3CCCC3=O)c3cccnc32)cc1.
What is the InChIKey of 2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The InChIKey is PCSMCYOGVAXXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-16-7-9-17(10-8-16)27-21-18(5-2-11-24-21)26(22(27)30)15-19(28)23-12-4-14-25-13-3-6-20(25)29/h2,5,7-11H,3-4,6,12-15H2,1H3,(H,23,28).
What are the key properties of 2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide has a molecular weight of 407.47 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is sourced from PubChem (CID 71841482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).