2-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-1-morpholin-4-ylethanone

C24H28Cl2N6O2 — CID 24849697

IUPAC2-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESNCc1cc2ncc(N3CCN(CC(=O)N4CCOCC4)CC3)n2cc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C24H28Cl2N6O2/c25-18-1-2-19(21(26)12-18)20-15-32-22(11-17(20)13-27)28-14-23(32)30-5-3-29(4-6-30)16-24(33)31-7-9-34-10-8-31/h1-2,11-12,14-15H,3-10,13,16,27H2
InChIKeyCZTXHEOAFBDANE-UHFFFAOYSA-N
MW503.43 g/mol
LogP2.75
Rot. Bonds5

About 2-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-1-morpholin-4-ylethanone

2-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 24849697) has the molecular formula C24H28Cl2N6O2 and a molecular weight of 503.43 g/mol. Its IUPAC name is 2-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-1-morpholin-4-ylethanone
PubChem CID24849697
Molecular FormulaC24H28Cl2N6O2
Molecular Weight503.43 g/mol
Exact Mass502.17
IUPAC Name2-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESNCc1cc2ncc(N3CCN(CC(=O)N4CCOCC4)CC3)n2cc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C24H28Cl2N6O2/c25-18-1-2-19(21(26)12-18)20-15-32-22(11-17(20)13-27)28-14-23(32)30-5-3-29(4-6-30)16-24(33)31-7-9-34-10-8-31/h1-2,11-12,14-15H,3-10,13,16,27H2
InChIKeyCZTXHEOAFBDANE-UHFFFAOYSA-N
XLogP2.75
TPSA79.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-1-morpholin-4-ylethanone (CID 24849697) is 2-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-1-morpholin-4-ylethanone is NCc1cc2ncc(N3CCN(CC(=O)N4CCOCC4)CC3)n2cc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is CZTXHEOAFBDANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Cl2N6O2/c25-18-1-2-19(21(26)12-18)20-15-32-22(11-17(20)13-27)28-14-23(32)30-5-3-29(4-6-30)16-24(33)31-7-9-34-10-8-31/h1-2,11-12,14-15H,3-10,13,16,27H2.
What are the key properties of 2-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-1-morpholin-4-ylethanone?
2-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 503.43 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 24849697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).