4-[3-[[2-[2,4-dichloro-3-[(3-chloro-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide;hydrochloride

C29H27Cl4N5O4 — CID 67626163

About 4-[3-[[2-[2,4-dichloro-3-[(3-chloro-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide;hydrochloride

4-[3-[[2-[2,4-dichloro-3-[(3-chloro-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide;hydrochloride (PubChem CID 67626163) has the molecular formula C29H27Cl4N5O4 and a molecular weight of 651.38 g/mol. Its IUPAC name is 4-[3-[[2-[2,4-dichloro-3-[(3-chloro-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide;hydrochloride.

Molecular Properties

• Compound Name: 4-[3-[[2-[2,4-dichloro-3-[(3-chloro-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide;hydrochloride
• PubChem CID: 67626163
• Molecular Formula: C29H27Cl4N5O4
• Molecular Weight: 651.38 g/mol
• Exact Mass: 649.08
• IUPAC Name: 4-[3-[[2-[2,4-dichloro-3-[(3-chloro-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide;hydrochloride
• SMILES: CNC(=O)c1ccc(C=CC(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccn4c(Cl)c(C)nc34)c2Cl)cc1.Cl
• InChI: InChI=1S/C29H26Cl3N5O4.ClH/c1-17-27(32)37-14-4-5-23(28(37)35-17)41-16-20-21(30)11-12-22(26(20)31)36(3)25(39)15-34-24(38)13-8-18-6-9-19(10-7-18)29(40)33-2;/h4-14H,15-16H2,1-3H3,(H,33,40)(H,34,38);1H
• InChIKey: ABQIVMPEQMTECH-UHFFFAOYSA-N
• XLogP: 5.76
• TPSA: 105.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	651.38
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[2-[2,4-dichloro-3-[(3-chloro-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide;hydrochloride?

The IUPAC name of 4-[3-[[2-[2,4-dichloro-3-[(3-chloro-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide;hydrochloride (CID 67626163) is 4-[3-[[2-[2,4-dichloro-3-[(3-chloro-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide;hydrochloride.

What is the SMILES notation for 4-[3-[[2-[2,4-dichloro-3-[(3-chloro-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide;hydrochloride?

The canonical SMILES for 4-[3-[[2-[2,4-dichloro-3-[(3-chloro-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide;hydrochloride is CNC(=O)c1ccc(C=CC(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccn4c(Cl)c(C)nc34)c2Cl)cc1.Cl.

What is the InChIKey of 4-[3-[[2-[2,4-dichloro-3-[(3-chloro-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide;hydrochloride?

The InChIKey is ABQIVMPEQMTECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26Cl3N5O4.ClH/c1-17-27(32)37-14-4-5-23(28(37)35-17)41-16-20-21(30)11-12-22(26(20)31)36(3)25(39)15-34-24(38)13-8-18-6-9-19(10-7-18)29(40)33-2;/h4-14H,15-16H2,1-3H3,(H,33,40)(H,34,38);1H.

What are the key properties of 4-[3-[[2-[2,4-dichloro-3-[(3-chloro-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide;hydrochloride?

4-[3-[[2-[2,4-dichloro-3-[(3-chloro-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide;hydrochloride has a molecular weight of 651.38 g/mol, XLogP of 5.76, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[[2-[2,4-dichloro-3-[(3-chloro-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 67626163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).