N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-[(2-piperidin-1-ylacetyl)amino]acetamide;dihydrochloride

C25H30BrCl4N5O3 — CID 18923355

IUPACN-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-[(2-piperidin-1-ylacetyl)amino]acetamide;dihydrochloride
SMILESCc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)CN4CCCCC4)c3Cl)cccn2c1Br.Cl.Cl
InChIInChI=1S/C25H28BrCl2N5O3.2ClH/c1-16-24(26)33-12-6-7-20(25(33)30-16)36-15-17-18(27)8-9-19(23(17)28)31(2)22(35)13-29-21(34)14-32-10-4-3-5-11-32;;/h6-9,12H,3-5,10-11,13-15H2,1-2H3,(H,29,34);2*1H
InChIKeySXUXWURSKZSCIF-UHFFFAOYSA-N
MW670.26 g/mol
LogP5.70
Rot. Bonds8

About N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-[(2-piperidin-1-ylacetyl)amino]acetamide;dihydrochloride

N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-[(2-piperidin-1-ylacetyl)amino]acetamide;dihydrochloride (PubChem CID 18923355) has the molecular formula C25H30BrCl4N5O3 and a molecular weight of 670.26 g/mol. Its IUPAC name is N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-[(2-piperidin-1-ylacetyl)amino]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-[(2-piperidin-1-ylacetyl)amino]acetamide;dihydrochloride
PubChem CID18923355
Molecular FormulaC25H30BrCl4N5O3
Molecular Weight670.26 g/mol
Exact Mass667.03
IUPAC NameN-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-[(2-piperidin-1-ylacetyl)amino]acetamide;dihydrochloride
SMILESCc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)CN4CCCCC4)c3Cl)cccn2c1Br.Cl.Cl
InChIInChI=1S/C25H28BrCl2N5O3.2ClH/c1-16-24(26)33-12-6-7-20(25(33)30-16)36-15-17-18(27)8-9-19(23(17)28)31(2)22(35)13-29-21(34)14-32-10-4-3-5-11-32;;/h6-9,12H,3-5,10-11,13-15H2,1-2H3,(H,29,34);2*1H
InChIKeySXUXWURSKZSCIF-UHFFFAOYSA-N
XLogP5.70
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.26
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-[(2-piperidin-1-ylacetyl)amino]acetamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-[(2-piperidin-1-ylacetyl)amino]acetamide;dihydrochloride?
The IUPAC name of N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-[(2-piperidin-1-ylacetyl)amino]acetamide;dihydrochloride (CID 18923355) is N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-[(2-piperidin-1-ylacetyl)amino]acetamide;dihydrochloride.
What is the SMILES notation for N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-[(2-piperidin-1-ylacetyl)amino]acetamide;dihydrochloride?
The canonical SMILES for N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-[(2-piperidin-1-ylacetyl)amino]acetamide;dihydrochloride is Cc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)CN4CCCCC4)c3Cl)cccn2c1Br.Cl.Cl.
What is the InChIKey of N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-[(2-piperidin-1-ylacetyl)amino]acetamide;dihydrochloride?
The InChIKey is SXUXWURSKZSCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28BrCl2N5O3.2ClH/c1-16-24(26)33-12-6-7-20(25(33)30-16)36-15-17-18(27)8-9-19(23(17)28)31(2)22(35)13-29-21(34)14-32-10-4-3-5-11-32;;/h6-9,12H,3-5,10-11,13-15H2,1-2H3,(H,29,34);2*1H.
What are the key properties of N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-[(2-piperidin-1-ylacetyl)amino]acetamide;dihydrochloride?
N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-[(2-piperidin-1-ylacetyl)amino]acetamide;dihydrochloride has a molecular weight of 670.26 g/mol, XLogP of 5.70, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-[(2-piperidin-1-ylacetyl)amino]acetamide;dihydrochloride is sourced from PubChem (CID 18923355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).