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

C23H26BrCl4N5O3 — CID 18923707

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

N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]-2-(cyclopropylamino)acetamide;dihydrochloride (PubChem CID 18923707) has the molecular formula C23H26BrCl4N5O3 and a molecular weight of 642.21 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]-2-(cyclopropylamino)acetamide;dihydrochloride.

Molecular Properties

• Compound Name: N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]-2-(cyclopropylamino)acetamide;dihydrochloride
• PubChem CID: 18923707
• Molecular Formula: C23H26BrCl4N5O3
• Molecular Weight: 642.21 g/mol
• Exact Mass: 639.00
• IUPAC Name: N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]-2-(cyclopropylamino)acetamide;dihydrochloride
• SMILES: Cc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)CNC4CC4)c3Cl)cccn2c1Br.Cl.Cl
• InChI: InChI=1S/C23H24BrCl2N5O3.2ClH/c1-13-22(24)31-9-3-4-18(23(31)29-13)34-12-15-16(25)7-8-17(21(15)26)30(2)20(33)11-28-19(32)10-27-14-5-6-14;;/h3-4,7-9,14,27H,5-6,10-12H2,1-2H3,(H,28,32);2*1H
• InChIKey: XZNXAWKOLMUUFB-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 87.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	642.21
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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]-2-(cyclopropylamino)acetamide;dihydrochloride?

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]-2-(cyclopropylamino)acetamide;dihydrochloride (CID 18923707) is N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]-2-(cyclopropylamino)acetamide;dihydrochloride.

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]-2-(cyclopropylamino)acetamide;dihydrochloride?

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]-2-(cyclopropylamino)acetamide;dihydrochloride is Cc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)CNC4CC4)c3Cl)cccn2c1Br.Cl.Cl.

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]-2-(cyclopropylamino)acetamide;dihydrochloride?

The InChIKey is XZNXAWKOLMUUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrCl2N5O3.2ClH/c1-13-22(24)31-9-3-4-18(23(31)29-13)34-12-15-16(25)7-8-17(21(15)26)30(2)20(33)11-28-19(32)10-27-14-5-6-14;;/h3-4,7-9,14,27H,5-6,10-12H2,1-2H3,(H,28,32);2*1H.

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]-2-(cyclopropylamino)acetamide;dihydrochloride?

N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]-2-(cyclopropylamino)acetamide;dihydrochloride has a molecular weight of 642.21 g/mol, XLogP of 4.97, 9 rotatable bonds, 2 hydrogen bond donors, and 6 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]-2-(cyclopropylamino)acetamide;dihydrochloride is sourced from PubChem (CID 18923707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).