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

C23H28BrCl4N5O3 — CID 23371741

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

N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]-3-(dimethylamino)propanamide;dihydrochloride (PubChem CID 23371741) has the molecular formula C23H28BrCl4N5O3 and a molecular weight of 644.23 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]-3-(dimethylamino)propanamide;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]-3-(dimethylamino)propanamide;dihydrochloride
• PubChem CID: 23371741
• Molecular Formula: C23H28BrCl4N5O3
• Molecular Weight: 644.23 g/mol
• Exact Mass: 641.01
• IUPAC Name: N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]-3-(dimethylamino)propanamide;dihydrochloride
• SMILES: Cc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)CCN(C)C)c3Cl)cccn2c1Br.Cl.Cl
• InChI: InChI=1S/C23H26BrCl2N5O3.2ClH/c1-14-22(24)31-10-5-6-18(23(31)28-14)34-13-15-16(25)7-8-17(21(15)26)30(4)20(33)12-27-19(32)9-11-29(2)3;;/h5-8,10H,9,11-13H2,1-4H3,(H,27,32);2*1H
• InChIKey: PZXCDXAUWPADRY-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 79.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	644.23
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
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]-3-(dimethylamino)propanamide;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]-3-(dimethylamino)propanamide;dihydrochloride (CID 23371741) is N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]-3-(dimethylamino)propanamide;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]-3-(dimethylamino)propanamide;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]-3-(dimethylamino)propanamide;dihydrochloride is Cc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)CCN(C)C)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]-3-(dimethylamino)propanamide;dihydrochloride?

The InChIKey is PZXCDXAUWPADRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26BrCl2N5O3.2ClH/c1-14-22(24)31-10-5-6-18(23(31)28-14)34-13-15-16(25)7-8-17(21(15)26)30(4)20(33)12-27-19(32)9-11-29(2)3;;/h5-8,10H,9,11-13H2,1-4H3,(H,27,32);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]-3-(dimethylamino)propanamide;dihydrochloride?

N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]-3-(dimethylamino)propanamide;dihydrochloride has a molecular weight of 644.23 g/mol, XLogP of 5.17, 9 rotatable bonds, 1 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]-3-(dimethylamino)propanamide;dihydrochloride is sourced from PubChem (CID 23371741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).