6-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one

C27H24N8O2 — CID 137083638

IUPAC6-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2cc(-c3cnc(N4CCOCC4)c4nc(CCc5ccc6ccccc6n5)cn34)cnc2[nH]1
InChIInChI=1S/C27H24N8O2/c36-27-32-22-13-18(14-28-24(22)33-27)23-15-29-25(34-9-11-37-12-10-34)26-31-20(16-35(23)26)8-7-19-6-5-17-3-1-2-4-21(17)30-19/h1-6,13-16H,7-12H2,(H2,28,32,33,36)
InChIKeyDLOHJNLDGDFZOB-UHFFFAOYSA-N
MW492.54 g/mol
LogP3.13
Rot. Bonds5

About 6-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one

6-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one (PubChem CID 137083638) has the molecular formula C27H24N8O2 and a molecular weight of 492.54 g/mol. Its IUPAC name is 6-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one
PubChem CID137083638
Molecular FormulaC27H24N8O2
Molecular Weight492.54 g/mol
Exact Mass492.20
IUPAC Name6-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2cc(-c3cnc(N4CCOCC4)c4nc(CCc5ccc6ccccc6n5)cn34)cnc2[nH]1
InChIInChI=1S/C27H24N8O2/c36-27-32-22-13-18(14-28-24(22)33-27)23-15-29-25(34-9-11-37-12-10-34)26-31-20(16-35(23)26)8-7-19-6-5-17-3-1-2-4-21(17)30-19/h1-6,13-16H,7-12H2,(H2,28,32,33,36)
InChIKeyDLOHJNLDGDFZOB-UHFFFAOYSA-N
XLogP3.13
TPSA117.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.54
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one (CID 137083638) is 6-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one is O=c1[nH]c2cc(-c3cnc(N4CCOCC4)c4nc(CCc5ccc6ccccc6n5)cn34)cnc2[nH]1.
What is the InChIKey of 6-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The InChIKey is DLOHJNLDGDFZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N8O2/c36-27-32-22-13-18(14-28-24(22)33-27)23-15-29-25(34-9-11-37-12-10-34)26-31-20(16-35(23)26)8-7-19-6-5-17-3-1-2-4-21(17)30-19/h1-6,13-16H,7-12H2,(H2,28,32,33,36).
What are the key properties of 6-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
6-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one has a molecular weight of 492.54 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 137083638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).