1-(3-chlorophenyl)-N-[6-[8-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]propane-1,3-diamine

C26H31ClN8O — CID 66546709

IUPAC1-(3-chlorophenyl)-N-[6-[8-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]propane-1,3-diamine
SMILESNCCC(Nc1cccc(-c2cnc3c(NCCN4CCOCC4)nccn23)n1)c1cccc(Cl)c1
InChIInChI=1S/C26H31ClN8O/c27-20-4-1-3-19(17-20)21(7-8-28)32-24-6-2-5-22(33-24)23-18-31-26-25(30-10-12-35(23)26)29-9-11-34-13-15-36-16-14-34/h1-6,10,12,17-18,21H,7-9,11,13-16,28H2,(H,29,30)(H,32,33)
InChIKeyQETYPEAQOIAFIB-UHFFFAOYSA-N
MW507.04 g/mol
LogP3.69
Rot. Bonds10

About 1-(3-chlorophenyl)-N-[6-[8-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]propane-1,3-diamine

1-(3-chlorophenyl)-N-[6-[8-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]propane-1,3-diamine (PubChem CID 66546709) has the molecular formula C26H31ClN8O and a molecular weight of 507.04 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[6-[8-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]propane-1,3-diamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[6-[8-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]propane-1,3-diamine
PubChem CID66546709
Molecular FormulaC26H31ClN8O
Molecular Weight507.04 g/mol
Exact Mass506.23
IUPAC Name1-(3-chlorophenyl)-N-[6-[8-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]propane-1,3-diamine
SMILESNCCC(Nc1cccc(-c2cnc3c(NCCN4CCOCC4)nccn23)n1)c1cccc(Cl)c1
InChIInChI=1S/C26H31ClN8O/c27-20-4-1-3-19(17-20)21(7-8-28)32-24-6-2-5-22(33-24)23-18-31-26-25(30-10-12-35(23)26)29-9-11-34-13-15-36-16-14-34/h1-6,10,12,17-18,21H,7-9,11,13-16,28H2,(H,29,30)(H,32,33)
InChIKeyQETYPEAQOIAFIB-UHFFFAOYSA-N
XLogP3.69
TPSA105.63 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.04
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[6-[8-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]propane-1,3-diamine?
The IUPAC name of 1-(3-chlorophenyl)-N-[6-[8-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]propane-1,3-diamine (CID 66546709) is 1-(3-chlorophenyl)-N-[6-[8-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]propane-1,3-diamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[6-[8-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]propane-1,3-diamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[6-[8-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]propane-1,3-diamine is NCCC(Nc1cccc(-c2cnc3c(NCCN4CCOCC4)nccn23)n1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[6-[8-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]propane-1,3-diamine?
The InChIKey is QETYPEAQOIAFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN8O/c27-20-4-1-3-19(17-20)21(7-8-28)32-24-6-2-5-22(33-24)23-18-31-26-25(30-10-12-35(23)26)29-9-11-34-13-15-36-16-14-34/h1-6,10,12,17-18,21H,7-9,11,13-16,28H2,(H,29,30)(H,32,33).
What are the key properties of 1-(3-chlorophenyl)-N-[6-[8-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]propane-1,3-diamine?
1-(3-chlorophenyl)-N-[6-[8-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]propane-1,3-diamine has a molecular weight of 507.04 g/mol, XLogP of 3.69, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[6-[8-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]propane-1,3-diamine is sourced from PubChem (CID 66546709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).