5-[(E)-3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N,N-dimethylpyridine-2-carboxamide;dihydrochloride

C29H29BrCl4N6O4 — CID 45265075

About 5-[(E)-3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N,N-dimethylpyridine-2-carboxamide;dihydrochloride

5-[(E)-3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N,N-dimethylpyridine-2-carboxamide;dihydrochloride (PubChem CID 45265075) has the molecular formula C29H29BrCl4N6O4 and a molecular weight of 747.31 g/mol. Its IUPAC name is 5-[(E)-3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N,N-dimethylpyridine-2-carboxamide;dihydrochloride.

Molecular Properties

• Compound Name: 5-[(E)-3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N,N-dimethylpyridine-2-carboxamide;dihydrochloride
• PubChem CID: 45265075
• Molecular Formula: C29H29BrCl4N6O4
• Molecular Weight: 747.31 g/mol
• Exact Mass: 744.02
• IUPAC Name: 5-[(E)-3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N,N-dimethylpyridine-2-carboxamide;dihydrochloride
• SMILES: Cc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(C(=O)N(C)C)nc4)c3Cl)cccn2c1Br.Cl.Cl
• InChI: InChI=1S/C29H27BrCl2N6O4.2ClH/c1-17-27(30)38-13-5-6-23(28(38)35-17)42-16-19-20(31)9-11-22(26(19)32)37(4)25(40)15-34-24(39)12-8-18-7-10-21(33-14-18)29(41)36(2)3;;/h5-14H,15-16H2,1-4H3,(H,34,39);2*1H/b12-8+
• InChIKey: KKLYRWLOZADTBR-BPWZRWDXSA-N
• XLogP: 6.02
• TPSA: 109.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	747.31
LogP ≤ 5	6.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N,N-dimethylpyridine-2-carboxamide;dihydrochloride?

The IUPAC name of 5-[(E)-3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N,N-dimethylpyridine-2-carboxamide;dihydrochloride (CID 45265075) is 5-[(E)-3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N,N-dimethylpyridine-2-carboxamide;dihydrochloride.

What is the SMILES notation for 5-[(E)-3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N,N-dimethylpyridine-2-carboxamide;dihydrochloride?

The canonical SMILES for 5-[(E)-3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N,N-dimethylpyridine-2-carboxamide;dihydrochloride is Cc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(C(=O)N(C)C)nc4)c3Cl)cccn2c1Br.Cl.Cl.

What is the InChIKey of 5-[(E)-3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N,N-dimethylpyridine-2-carboxamide;dihydrochloride?

The InChIKey is KKLYRWLOZADTBR-BPWZRWDXSA-N. The full InChI is InChI=1S/C29H27BrCl2N6O4.2ClH/c1-17-27(30)38-13-5-6-23(28(38)35-17)42-16-19-20(31)9-11-22(26(19)32)37(4)25(40)15-34-24(39)12-8-18-7-10-21(33-14-18)29(41)36(2)3;;/h5-14H,15-16H2,1-4H3,(H,34,39);2*1H/b12-8+;;.

What are the key properties of 5-[(E)-3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N,N-dimethylpyridine-2-carboxamide;dihydrochloride?

5-[(E)-3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N,N-dimethylpyridine-2-carboxamide;dihydrochloride has a molecular weight of 747.31 g/mol, XLogP of 6.02, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(E)-3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N,N-dimethylpyridine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 45265075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).