[6-(2,4-dichlorophenyl)-3-(2-morpholin-4-yl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]methanamine

C23H21Cl2N5O — CID 24849504

IUPAC[6-(2,4-dichlorophenyl)-3-(2-morpholin-4-yl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]methanamine
SMILESNCc1cc2ncc(-c3ccnc(N4CCOCC4)c3)n2cc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C23H21Cl2N5O/c24-17-1-2-18(20(25)11-17)19-14-30-21(13-28-23(30)10-16(19)12-26)15-3-4-27-22(9-15)29-5-7-31-8-6-29/h1-4,9-11,13-14H,5-8,12,26H2
InChIKeyYJPPYFATJIFPAX-UHFFFAOYSA-N
MW454.36 g/mol
LogP4.67
Rot. Bonds4

About [6-(2,4-dichlorophenyl)-3-(2-morpholin-4-yl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]methanamine

[6-(2,4-dichlorophenyl)-3-(2-morpholin-4-yl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]methanamine (PubChem CID 24849504) has the molecular formula C23H21Cl2N5O and a molecular weight of 454.36 g/mol. Its IUPAC name is [6-(2,4-dichlorophenyl)-3-(2-morpholin-4-yl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]methanamine.

Molecular Properties

Compound Name[6-(2,4-dichlorophenyl)-3-(2-morpholin-4-yl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]methanamine
PubChem CID24849504
Molecular FormulaC23H21Cl2N5O
Molecular Weight454.36 g/mol
Exact Mass453.11
IUPAC Name[6-(2,4-dichlorophenyl)-3-(2-morpholin-4-yl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]methanamine
SMILESNCc1cc2ncc(-c3ccnc(N4CCOCC4)c3)n2cc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C23H21Cl2N5O/c24-17-1-2-18(20(25)11-17)19-14-30-21(13-28-23(30)10-16(19)12-26)15-3-4-27-22(9-15)29-5-7-31-8-6-29/h1-4,9-11,13-14H,5-8,12,26H2
InChIKeyYJPPYFATJIFPAX-UHFFFAOYSA-N
XLogP4.67
TPSA68.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.36
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-(2,4-dichlorophenyl)-3-(2-morpholin-4-yl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]methanamine?
The IUPAC name of [6-(2,4-dichlorophenyl)-3-(2-morpholin-4-yl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]methanamine (CID 24849504) is [6-(2,4-dichlorophenyl)-3-(2-morpholin-4-yl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]methanamine.
What is the SMILES notation for [6-(2,4-dichlorophenyl)-3-(2-morpholin-4-yl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]methanamine?
The canonical SMILES for [6-(2,4-dichlorophenyl)-3-(2-morpholin-4-yl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]methanamine is NCc1cc2ncc(-c3ccnc(N4CCOCC4)c3)n2cc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of [6-(2,4-dichlorophenyl)-3-(2-morpholin-4-yl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]methanamine?
The InChIKey is YJPPYFATJIFPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N5O/c24-17-1-2-18(20(25)11-17)19-14-30-21(13-28-23(30)10-16(19)12-26)15-3-4-27-22(9-15)29-5-7-31-8-6-29/h1-4,9-11,13-14H,5-8,12,26H2.
What are the key properties of [6-(2,4-dichlorophenyl)-3-(2-morpholin-4-yl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]methanamine?
[6-(2,4-dichlorophenyl)-3-(2-morpholin-4-yl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]methanamine has a molecular weight of 454.36 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,4-dichlorophenyl)-3-(2-morpholin-4-yl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]methanamine is sourced from PubChem (CID 24849504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).