N-[4-[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]phenyl]pyridine-4-carboxamide;dihydrochloride

C33H29BrCl4N6O4 — CID 67626077

About N-[4-[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]phenyl]pyridine-4-carboxamide;dihydrochloride

N-[4-[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]phenyl]pyridine-4-carboxamide;dihydrochloride (PubChem CID 67626077) has the molecular formula C33H29BrCl4N6O4 and a molecular weight of 795.35 g/mol. Its IUPAC name is N-[4-[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]phenyl]pyridine-4-carboxamide;dihydrochloride.

Molecular Properties

• Compound Name: N-[4-[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]phenyl]pyridine-4-carboxamide;dihydrochloride
• PubChem CID: 67626077
• Molecular Formula: C33H29BrCl4N6O4
• Molecular Weight: 795.35 g/mol
• Exact Mass: 792.02
• IUPAC Name: N-[4-[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]phenyl]pyridine-4-carboxamide;dihydrochloride
• SMILES: Cc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)C=Cc4ccc(NC(=O)c5ccncc5)cc4)c3Cl)cccn2c1Br.Cl.Cl
• InChI: InChI=1S/C33H27BrCl2N6O4.2ClH/c1-20-31(34)42-17-3-4-27(32(42)39-20)46-19-24-25(35)10-11-26(30(24)36)41(2)29(44)18-38-28(43)12-7-21-5-8-23(9-6-21)40-33(45)22-13-15-37-16-14-22;;/h3-17H,18-19H2,1-2H3,(H,38,43)(H,40,45);2*1H
• InChIKey: GCWRHTNTAUCRGK-UHFFFAOYSA-N
• XLogP: 7.57
• TPSA: 117.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	795.35
LogP ≤ 5	7.57
H-Bond Donors ≤ 5	2
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 N-[4-[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]phenyl]pyridine-4-carboxamide;dihydrochloride?

The IUPAC name of N-[4-[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]phenyl]pyridine-4-carboxamide;dihydrochloride (CID 67626077) is N-[4-[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]phenyl]pyridine-4-carboxamide;dihydrochloride.

What is the SMILES notation for N-[4-[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]phenyl]pyridine-4-carboxamide;dihydrochloride?

The canonical SMILES for N-[4-[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]phenyl]pyridine-4-carboxamide;dihydrochloride is Cc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)C=Cc4ccc(NC(=O)c5ccncc5)cc4)c3Cl)cccn2c1Br.Cl.Cl.

What is the InChIKey of N-[4-[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]phenyl]pyridine-4-carboxamide;dihydrochloride?

The InChIKey is GCWRHTNTAUCRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27BrCl2N6O4.2ClH/c1-20-31(34)42-17-3-4-27(32(42)39-20)46-19-24-25(35)10-11-26(30(24)36)41(2)29(44)18-38-28(43)12-7-21-5-8-23(9-6-21)40-33(45)22-13-15-37-16-14-22;;/h3-17H,18-19H2,1-2H3,(H,38,43)(H,40,45);2*1H.

What are the key properties of N-[4-[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]phenyl]pyridine-4-carboxamide;dihydrochloride?

N-[4-[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]phenyl]pyridine-4-carboxamide;dihydrochloride has a molecular weight of 795.35 g/mol, XLogP of 7.57, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[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]phenyl]pyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 67626077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).