3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]carbamoylamino]-N-(2-methoxyethyl)benzamide;hydrochloride

C29H30BrCl3N6O5 — CID 23371751

About 3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]carbamoylamino]-N-(2-methoxyethyl)benzamide;hydrochloride

3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]carbamoylamino]-N-(2-methoxyethyl)benzamide;hydrochloride (PubChem CID 23371751) has the molecular formula C29H30BrCl3N6O5 and a molecular weight of 728.86 g/mol. Its IUPAC name is 3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]carbamoylamino]-N-(2-methoxyethyl)benzamide;hydrochloride.

Molecular Properties

• Compound Name: 3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]carbamoylamino]-N-(2-methoxyethyl)benzamide;hydrochloride
• PubChem CID: 23371751
• Molecular Formula: C29H30BrCl3N6O5
• Molecular Weight: 728.86 g/mol
• Exact Mass: 726.05
• IUPAC Name: 3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]carbamoylamino]-N-(2-methoxyethyl)benzamide;hydrochloride
• SMILES: COCCNC(=O)c1cccc(NC(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccn4c(Br)c(C)nc34)c2Cl)c1.Cl
• InChI: InChI=1S/C29H29BrCl2N6O5.ClH/c1-17-26(30)38-12-5-8-23(27(38)35-17)43-16-20-21(31)9-10-22(25(20)32)37(2)24(39)15-34-29(41)36-19-7-4-6-18(14-19)28(40)33-11-13-42-3;/h4-10,12,14H,11,13,15-16H2,1-3H3,(H,33,40)(H2,34,36,41);1H
• InChIKey: WNWRCAAOAJCHPH-UHFFFAOYSA-N
• XLogP: 5.87
• TPSA: 126.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	728.86
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]carbamoylamino]-N-(2-methoxyethyl)benzamide;hydrochloride?

The IUPAC name of 3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]carbamoylamino]-N-(2-methoxyethyl)benzamide;hydrochloride (CID 23371751) is 3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]carbamoylamino]-N-(2-methoxyethyl)benzamide;hydrochloride.

What is the SMILES notation for 3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]carbamoylamino]-N-(2-methoxyethyl)benzamide;hydrochloride?

The canonical SMILES for 3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]carbamoylamino]-N-(2-methoxyethyl)benzamide;hydrochloride is COCCNC(=O)c1cccc(NC(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccn4c(Br)c(C)nc34)c2Cl)c1.Cl.

What is the InChIKey of 3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]carbamoylamino]-N-(2-methoxyethyl)benzamide;hydrochloride?

The InChIKey is WNWRCAAOAJCHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29BrCl2N6O5.ClH/c1-17-26(30)38-12-5-8-23(27(38)35-17)43-16-20-21(31)9-10-22(25(20)32)37(2)24(39)15-34-29(41)36-19-7-4-6-18(14-19)28(40)33-11-13-42-3;/h4-10,12,14H,11,13,15-16H2,1-3H3,(H,33,40)(H2,34,36,41);1H.

What are the key properties of 3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]carbamoylamino]-N-(2-methoxyethyl)benzamide;hydrochloride?

3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]carbamoylamino]-N-(2-methoxyethyl)benzamide;hydrochloride has a molecular weight of 728.86 g/mol, XLogP of 5.87, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]carbamoylamino]-N-(2-methoxyethyl)benzamide;hydrochloride is sourced from PubChem (CID 23371751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).