N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]butanamide

C22H23BrCl2N4O3 — CID 10506663

IUPACN-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]butanamide
SMILESCCCC(=O)NCC(=O)N(C)c1ccc(Cl)c(COc2cccn3c(Br)c(C)nc23)c1Cl
InChIInChI=1S/C22H23BrCl2N4O3/c1-4-6-18(30)26-11-19(31)28(3)16-9-8-15(24)14(20(16)25)12-32-17-7-5-10-29-21(23)13(2)27-22(17)29/h5,7-10H,4,6,11-12H2,1-3H3,(H,26,30)
InChIKeyQIOPRZCPPYEELJ-UHFFFAOYSA-N
MW542.26 g/mol
LogP5.17
Rot. Bonds8

About N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]butanamide

N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]butanamide (PubChem CID 10506663) has the molecular formula C22H23BrCl2N4O3 and a molecular weight of 542.26 g/mol. Its IUPAC name is N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]butanamide.

Molecular Properties

Compound NameN-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]butanamide
PubChem CID10506663
Molecular FormulaC22H23BrCl2N4O3
Molecular Weight542.26 g/mol
Exact Mass540.03
IUPAC NameN-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]butanamide
SMILESCCCC(=O)NCC(=O)N(C)c1ccc(Cl)c(COc2cccn3c(Br)c(C)nc23)c1Cl
InChIInChI=1S/C22H23BrCl2N4O3/c1-4-6-18(30)26-11-19(31)28(3)16-9-8-15(24)14(20(16)25)12-32-17-7-5-10-29-21(23)13(2)27-22(17)29/h5,7-10H,4,6,11-12H2,1-3H3,(H,26,30)
InChIKeyQIOPRZCPPYEELJ-UHFFFAOYSA-N
XLogP5.17
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.26
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]butanamide?
The IUPAC name of N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]butanamide (CID 10506663) is N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]butanamide.
What is the SMILES notation for N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]butanamide?
The canonical SMILES for N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]butanamide is CCCC(=O)NCC(=O)N(C)c1ccc(Cl)c(COc2cccn3c(Br)c(C)nc23)c1Cl.
What is the InChIKey of N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]butanamide?
The InChIKey is QIOPRZCPPYEELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrCl2N4O3/c1-4-6-18(30)26-11-19(31)28(3)16-9-8-15(24)14(20(16)25)12-32-17-7-5-10-29-21(23)13(2)27-22(17)29/h5,7-10H,4,6,11-12H2,1-3H3,(H,26,30).
What are the key properties of N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]butanamide?
N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]butanamide has a molecular weight of 542.26 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]butanamide is sourced from PubChem (CID 10506663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).