3-[4-(2-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one

C26H24N4O3 — CID 129032073

IUPAC3-[4-(2-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one
SMILESC=CC(=O)N1CCC(n2c(=O)n(-c3ccc(Oc4ccccc4C)cc3)c3cnccc32)C1
InChIInChI=1S/C26H24N4O3/c1-3-25(31)28-15-13-20(17-28)30-22-12-14-27-16-23(22)29(26(30)32)19-8-10-21(11-9-19)33-24-7-5-4-6-18(24)2/h3-12,14,16,20H,1,13,15,17H2,2H3
InChIKeyGJEPLNGSPOXTDU-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.25
Rot. Bonds5

About 3-[4-(2-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one

3-[4-(2-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one (PubChem CID 129032073) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is 3-[4-(2-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name3-[4-(2-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one
PubChem CID129032073
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name3-[4-(2-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one
SMILESC=CC(=O)N1CCC(n2c(=O)n(-c3ccc(Oc4ccccc4C)cc3)c3cnccc32)C1
InChIInChI=1S/C26H24N4O3/c1-3-25(31)28-15-13-20(17-28)30-22-12-14-27-16-23(22)29(26(30)32)19-8-10-21(11-9-19)33-24-7-5-4-6-18(24)2/h3-12,14,16,20H,1,13,15,17H2,2H3
InChIKeyGJEPLNGSPOXTDU-UHFFFAOYSA-N
XLogP4.25
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 3-[4-(2-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one (CID 129032073) is 3-[4-(2-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 3-[4-(2-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 3-[4-(2-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one is C=CC(=O)N1CCC(n2c(=O)n(-c3ccc(Oc4ccccc4C)cc3)c3cnccc32)C1.
What is the InChIKey of 3-[4-(2-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one?
The InChIKey is GJEPLNGSPOXTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-3-25(31)28-15-13-20(17-28)30-22-12-14-27-16-23(22)29(26(30)32)19-8-10-21(11-9-19)33-24-7-5-4-6-18(24)2/h3-12,14,16,20H,1,13,15,17H2,2H3.
What are the key properties of 3-[4-(2-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one?
3-[4-(2-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one has a molecular weight of 440.50 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 129032073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).