N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide

C25H18Cl2N4O4 — CID 67656417

IUPACN-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCc1cn2cccc(OCc3c(Cl)ccc(NC(=O)CN4C(=O)c5ccccc5C4=O)c3Cl)c2n1
InChIInChI=1S/C25H18Cl2N4O4/c1-14-11-30-10-4-7-20(23(30)28-14)35-13-17-18(26)8-9-19(22(17)27)29-21(32)12-31-24(33)15-5-2-3-6-16(15)25(31)34/h2-11H,12-13H2,1H3,(H,29,32)
InChIKeyFPARVCUYDAAEGS-UHFFFAOYSA-N
MW509.35 g/mol
LogP4.76
Rot. Bonds6

About N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide

N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 67656417) has the molecular formula C25H18Cl2N4O4 and a molecular weight of 509.35 g/mol. Its IUPAC name is N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID67656417
Molecular FormulaC25H18Cl2N4O4
Molecular Weight509.35 g/mol
Exact Mass508.07
IUPAC NameN-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCc1cn2cccc(OCc3c(Cl)ccc(NC(=O)CN4C(=O)c5ccccc5C4=O)c3Cl)c2n1
InChIInChI=1S/C25H18Cl2N4O4/c1-14-11-30-10-4-7-20(23(30)28-14)35-13-17-18(26)8-9-19(22(17)27)29-21(32)12-31-24(33)15-5-2-3-6-16(15)25(31)34/h2-11H,12-13H2,1H3,(H,29,32)
InChIKeyFPARVCUYDAAEGS-UHFFFAOYSA-N
XLogP4.76
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.35
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 67656417) is N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide is Cc1cn2cccc(OCc3c(Cl)ccc(NC(=O)CN4C(=O)c5ccccc5C4=O)c3Cl)c2n1.
What is the InChIKey of N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is FPARVCUYDAAEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl2N4O4/c1-14-11-30-10-4-7-20(23(30)28-14)35-13-17-18(26)8-9-19(22(17)27)29-21(32)12-31-24(33)15-5-2-3-6-16(15)25(31)34/h2-11H,12-13H2,1H3,(H,29,32).
What are the key properties of N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 509.35 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 67656417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).