N-[[6-(2,4-dichlorophenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methyl]-1-phenylmethanamine

C25H24Cl2N4O — CID 24849874

IUPACN-[[6-(2,4-dichlorophenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methyl]-1-phenylmethanamine
SMILESClc1ccc(-c2cn3c(N4CCOCC4)cnc3cc2CNCc2ccccc2)c(Cl)c1
InChIInChI=1S/C25H24Cl2N4O/c26-20-6-7-21(23(27)13-20)22-17-31-24(29-16-25(31)30-8-10-32-11-9-30)12-19(22)15-28-14-18-4-2-1-3-5-18/h1-7,12-13,16-17,28H,8-11,14-15H2
InChIKeyWPIJBSGNKVTFCD-UHFFFAOYSA-N
MW467.40 g/mol
LogP5.43
Rot. Bonds6

About N-[[6-(2,4-dichlorophenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methyl]-1-phenylmethanamine

N-[[6-(2,4-dichlorophenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methyl]-1-phenylmethanamine (PubChem CID 24849874) has the molecular formula C25H24Cl2N4O and a molecular weight of 467.40 g/mol. Its IUPAC name is N-[[6-(2,4-dichlorophenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[6-(2,4-dichlorophenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methyl]-1-phenylmethanamine
PubChem CID24849874
Molecular FormulaC25H24Cl2N4O
Molecular Weight467.40 g/mol
Exact Mass466.13
IUPAC NameN-[[6-(2,4-dichlorophenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methyl]-1-phenylmethanamine
SMILESClc1ccc(-c2cn3c(N4CCOCC4)cnc3cc2CNCc2ccccc2)c(Cl)c1
InChIInChI=1S/C25H24Cl2N4O/c26-20-6-7-21(23(27)13-20)22-17-31-24(29-16-25(31)30-8-10-32-11-9-30)12-19(22)15-28-14-18-4-2-1-3-5-18/h1-7,12-13,16-17,28H,8-11,14-15H2
InChIKeyWPIJBSGNKVTFCD-UHFFFAOYSA-N
XLogP5.43
TPSA41.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.40
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,4-dichlorophenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methyl]-1-phenylmethanamine?
The IUPAC name of N-[[6-(2,4-dichlorophenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methyl]-1-phenylmethanamine (CID 24849874) is N-[[6-(2,4-dichlorophenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[[6-(2,4-dichlorophenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methyl]-1-phenylmethanamine?
The canonical SMILES for N-[[6-(2,4-dichlorophenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methyl]-1-phenylmethanamine is Clc1ccc(-c2cn3c(N4CCOCC4)cnc3cc2CNCc2ccccc2)c(Cl)c1.
What is the InChIKey of N-[[6-(2,4-dichlorophenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methyl]-1-phenylmethanamine?
The InChIKey is WPIJBSGNKVTFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N4O/c26-20-6-7-21(23(27)13-20)22-17-31-24(29-16-25(31)30-8-10-32-11-9-30)12-19(22)15-28-14-18-4-2-1-3-5-18/h1-7,12-13,16-17,28H,8-11,14-15H2.
What are the key properties of N-[[6-(2,4-dichlorophenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methyl]-1-phenylmethanamine?
N-[[6-(2,4-dichlorophenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methyl]-1-phenylmethanamine has a molecular weight of 467.40 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,4-dichlorophenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 24849874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).