5-[2-(4-chloroimidazo[4,5-c]pyridin-3-yl)ethyl]-5-hydroxy-3,4-bis(phenylmethoxy)-1H-pyrrol-2-one

C26H23ClN4O4 — CID 122193273

IUPAC5-[2-(4-chloroimidazo[4,5-c]pyridin-3-yl)ethyl]-5-hydroxy-3,4-bis(phenylmethoxy)-1H-pyrrol-2-one
SMILESO=C1NC(O)(CCn2cnc3ccnc(Cl)c32)C(OCc2ccccc2)=C1OCc1ccccc1
InChIInChI=1S/C26H23ClN4O4/c27-24-21-20(11-13-28-24)29-17-31(21)14-12-26(33)23(35-16-19-9-5-2-6-10-19)22(25(32)30-26)34-15-18-7-3-1-4-8-18/h1-11,13,17,33H,12,14-16H2,(H,30,32)
InChIKeyNUSUKSVSPVAASE-UHFFFAOYSA-N
MW490.95 g/mol
LogP3.94
Rot. Bonds9

About 5-[2-(4-chloroimidazo[4,5-c]pyridin-3-yl)ethyl]-5-hydroxy-3,4-bis(phenylmethoxy)-1H-pyrrol-2-one

5-[2-(4-chloroimidazo[4,5-c]pyridin-3-yl)ethyl]-5-hydroxy-3,4-bis(phenylmethoxy)-1H-pyrrol-2-one (PubChem CID 122193273) has the molecular formula C26H23ClN4O4 and a molecular weight of 490.95 g/mol. Its IUPAC name is 5-[2-(4-chloroimidazo[4,5-c]pyridin-3-yl)ethyl]-5-hydroxy-3,4-bis(phenylmethoxy)-1H-pyrrol-2-one.

Molecular Properties

Compound Name5-[2-(4-chloroimidazo[4,5-c]pyridin-3-yl)ethyl]-5-hydroxy-3,4-bis(phenylmethoxy)-1H-pyrrol-2-one
PubChem CID122193273
Molecular FormulaC26H23ClN4O4
Molecular Weight490.95 g/mol
Exact Mass490.14
IUPAC Name5-[2-(4-chloroimidazo[4,5-c]pyridin-3-yl)ethyl]-5-hydroxy-3,4-bis(phenylmethoxy)-1H-pyrrol-2-one
SMILESO=C1NC(O)(CCn2cnc3ccnc(Cl)c32)C(OCc2ccccc2)=C1OCc1ccccc1
InChIInChI=1S/C26H23ClN4O4/c27-24-21-20(11-13-28-24)29-17-31(21)14-12-26(33)23(35-16-19-9-5-2-6-10-19)22(25(32)30-26)34-15-18-7-3-1-4-8-18/h1-11,13,17,33H,12,14-16H2,(H,30,32)
InChIKeyNUSUKSVSPVAASE-UHFFFAOYSA-N
XLogP3.94
TPSA98.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.95
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chloroimidazo[4,5-c]pyridin-3-yl)ethyl]-5-hydroxy-3,4-bis(phenylmethoxy)-1H-pyrrol-2-one?
The IUPAC name of 5-[2-(4-chloroimidazo[4,5-c]pyridin-3-yl)ethyl]-5-hydroxy-3,4-bis(phenylmethoxy)-1H-pyrrol-2-one (CID 122193273) is 5-[2-(4-chloroimidazo[4,5-c]pyridin-3-yl)ethyl]-5-hydroxy-3,4-bis(phenylmethoxy)-1H-pyrrol-2-one.
What is the SMILES notation for 5-[2-(4-chloroimidazo[4,5-c]pyridin-3-yl)ethyl]-5-hydroxy-3,4-bis(phenylmethoxy)-1H-pyrrol-2-one?
The canonical SMILES for 5-[2-(4-chloroimidazo[4,5-c]pyridin-3-yl)ethyl]-5-hydroxy-3,4-bis(phenylmethoxy)-1H-pyrrol-2-one is O=C1NC(O)(CCn2cnc3ccnc(Cl)c32)C(OCc2ccccc2)=C1OCc1ccccc1.
What is the InChIKey of 5-[2-(4-chloroimidazo[4,5-c]pyridin-3-yl)ethyl]-5-hydroxy-3,4-bis(phenylmethoxy)-1H-pyrrol-2-one?
The InChIKey is NUSUKSVSPVAASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN4O4/c27-24-21-20(11-13-28-24)29-17-31(21)14-12-26(33)23(35-16-19-9-5-2-6-10-19)22(25(32)30-26)34-15-18-7-3-1-4-8-18/h1-11,13,17,33H,12,14-16H2,(H,30,32).
What are the key properties of 5-[2-(4-chloroimidazo[4,5-c]pyridin-3-yl)ethyl]-5-hydroxy-3,4-bis(phenylmethoxy)-1H-pyrrol-2-one?
5-[2-(4-chloroimidazo[4,5-c]pyridin-3-yl)ethyl]-5-hydroxy-3,4-bis(phenylmethoxy)-1H-pyrrol-2-one has a molecular weight of 490.95 g/mol, XLogP of 3.94, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chloroimidazo[4,5-c]pyridin-3-yl)ethyl]-5-hydroxy-3,4-bis(phenylmethoxy)-1H-pyrrol-2-one is sourced from PubChem (CID 122193273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).