6-(2-oxo-1-pyrrolidin-2-ylbut-3-enyl)-3-(4-phenoxyphenyl)-1H-imidazo[4,5-c]pyridin-2-one

C26H24N4O3 — CID 129031881

IUPAC6-(2-oxo-1-pyrrolidin-2-ylbut-3-enyl)-3-(4-phenoxyphenyl)-1H-imidazo[4,5-c]pyridin-2-one
SMILESC=CC(=O)C(c1cc2[nH]c(=O)n(-c3ccc(Oc4ccccc4)cc3)c2cn1)C1CCCN1
InChIInChI=1S/C26H24N4O3/c1-2-24(31)25(20-9-6-14-27-20)22-15-21-23(16-28-22)30(26(32)29-21)17-10-12-19(13-11-17)33-18-7-4-3-5-8-18/h2-5,7-8,10-13,15-16,20,25,27H,1,6,9,14H2,(H,29,32)
InChIKeyHKTAUOINSFRTJC-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.10
Rot. Bonds7

About 6-(2-oxo-1-pyrrolidin-2-ylbut-3-enyl)-3-(4-phenoxyphenyl)-1H-imidazo[4,5-c]pyridin-2-one

6-(2-oxo-1-pyrrolidin-2-ylbut-3-enyl)-3-(4-phenoxyphenyl)-1H-imidazo[4,5-c]pyridin-2-one (PubChem CID 129031881) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is 6-(2-oxo-1-pyrrolidin-2-ylbut-3-enyl)-3-(4-phenoxyphenyl)-1H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name6-(2-oxo-1-pyrrolidin-2-ylbut-3-enyl)-3-(4-phenoxyphenyl)-1H-imidazo[4,5-c]pyridin-2-one
PubChem CID129031881
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name6-(2-oxo-1-pyrrolidin-2-ylbut-3-enyl)-3-(4-phenoxyphenyl)-1H-imidazo[4,5-c]pyridin-2-one
SMILESC=CC(=O)C(c1cc2[nH]c(=O)n(-c3ccc(Oc4ccccc4)cc3)c2cn1)C1CCCN1
InChIInChI=1S/C26H24N4O3/c1-2-24(31)25(20-9-6-14-27-20)22-15-21-23(16-28-22)30(26(32)29-21)17-10-12-19(13-11-17)33-18-7-4-3-5-8-18/h2-5,7-8,10-13,15-16,20,25,27H,1,6,9,14H2,(H,29,32)
InChIKeyHKTAUOINSFRTJC-UHFFFAOYSA-N
XLogP4.10
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[4-(3-ethoxyphenoxy)phenyl]-4-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]-1H-imidazo[4,5-c]pyridin-2-one
CID 129032356
1-(4-phenoxyphenyl)-3-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-b]pyridin-2-one
CID 129032034
7-(4-phenoxyphenyl)-9H-purin-8-one
CID 144841781
6-(hydroxyamino)-7-(4-phenoxyphenyl)-9-(1-prop-2-enoylpyrrolidin-3-yl)purin-8-one
CID 129032329
4-methoxy-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one
CID 129052418
1-[3-[5-[amino(hydroxy)methyl]-4-(4-phenoxyphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 123985802
4-(4-phenoxyphenoxy)-2-(1-prop-2-enoylpyrrolidin-3-yl)pyrimidine-5-carboxamide
CID 118038190
4-amino-3-(4-phenoxyphenyl)-1-[(1-prop-2-enoylpiperidin-3-yl)methyl]imidazo[4,5-c]pyridin-2-one
CID 126700572
6-oxo-7-(4-phenoxyphenyl)-N-(1-prop-2-enoylpyrrolidin-3-yl)-2-thia-5,7,11-triazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide
CID 130474966
3-(6-propan-2-yl-3-pyridinyl)-1H-benzimidazol-2-one
CID 171746097
3-[4-(3,4-dichlorophenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one
CID 129051787
(2S)-2-(2-bromophenyl)-2-[(2R)-pyrrolidin-2-yl]acetic acid
CID 178194212

Frequently Asked Questions

What is the IUPAC name of 6-(2-oxo-1-pyrrolidin-2-ylbut-3-enyl)-3-(4-phenoxyphenyl)-1H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 6-(2-oxo-1-pyrrolidin-2-ylbut-3-enyl)-3-(4-phenoxyphenyl)-1H-imidazo[4,5-c]pyridin-2-one (CID 129031881) is 6-(2-oxo-1-pyrrolidin-2-ylbut-3-enyl)-3-(4-phenoxyphenyl)-1H-imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 6-(2-oxo-1-pyrrolidin-2-ylbut-3-enyl)-3-(4-phenoxyphenyl)-1H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 6-(2-oxo-1-pyrrolidin-2-ylbut-3-enyl)-3-(4-phenoxyphenyl)-1H-imidazo[4,5-c]pyridin-2-one is C=CC(=O)C(c1cc2[nH]c(=O)n(-c3ccc(Oc4ccccc4)cc3)c2cn1)C1CCCN1.
What is the InChIKey of 6-(2-oxo-1-pyrrolidin-2-ylbut-3-enyl)-3-(4-phenoxyphenyl)-1H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is HKTAUOINSFRTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-2-24(31)25(20-9-6-14-27-20)22-15-21-23(16-28-22)30(26(32)29-21)17-10-12-19(13-11-17)33-18-7-4-3-5-8-18/h2-5,7-8,10-13,15-16,20,25,27H,1,6,9,14H2,(H,29,32).
What are the key properties of 6-(2-oxo-1-pyrrolidin-2-ylbut-3-enyl)-3-(4-phenoxyphenyl)-1H-imidazo[4,5-c]pyridin-2-one?
6-(2-oxo-1-pyrrolidin-2-ylbut-3-enyl)-3-(4-phenoxyphenyl)-1H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 440.50 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-oxo-1-pyrrolidin-2-ylbut-3-enyl)-3-(4-phenoxyphenyl)-1H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 129031881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).