3-[[4-(imidazo[1,2-a]pyridin-5-ylmethyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one

C18H22N6O2 — CID 129003384

IUPAC3-[[4-(imidazo[1,2-a]pyridin-5-ylmethyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one
SMILESCn1ccnc(NCC2CN(Cc3cccc4nccn34)CCO2)c1=O
InChIInChI=1S/C18H22N6O2/c1-22-7-5-20-17(18(22)25)21-11-15-13-23(9-10-26-15)12-14-3-2-4-16-19-6-8-24(14)16/h2-8,15H,9-13H2,1H3,(H,20,21)
InChIKeyWQURXVGACCTLKG-UHFFFAOYSA-N
MW354.41 g/mol
LogP0.74
Rot. Bonds5

About 3-[[4-(imidazo[1,2-a]pyridin-5-ylmethyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one

3-[[4-(imidazo[1,2-a]pyridin-5-ylmethyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one (PubChem CID 129003384) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-[[4-(imidazo[1,2-a]pyridin-5-ylmethyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[[4-(imidazo[1,2-a]pyridin-5-ylmethyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one
PubChem CID129003384
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name3-[[4-(imidazo[1,2-a]pyridin-5-ylmethyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one
SMILESCn1ccnc(NCC2CN(Cc3cccc4nccn34)CCO2)c1=O
InChIInChI=1S/C18H22N6O2/c1-22-7-5-20-17(18(22)25)21-11-15-13-23(9-10-26-15)12-14-3-2-4-16-19-6-8-24(14)16/h2-8,15H,9-13H2,1H3,(H,20,21)
InChIKeyWQURXVGACCTLKG-UHFFFAOYSA-N
XLogP0.74
TPSA76.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(imidazo[1,2-a]pyridin-5-ylmethyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one?
The IUPAC name of 3-[[4-(imidazo[1,2-a]pyridin-5-ylmethyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one (CID 129003384) is 3-[[4-(imidazo[1,2-a]pyridin-5-ylmethyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[[4-(imidazo[1,2-a]pyridin-5-ylmethyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[[4-(imidazo[1,2-a]pyridin-5-ylmethyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one is Cn1ccnc(NCC2CN(Cc3cccc4nccn34)CCO2)c1=O.
What is the InChIKey of 3-[[4-(imidazo[1,2-a]pyridin-5-ylmethyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one?
The InChIKey is WQURXVGACCTLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-22-7-5-20-17(18(22)25)21-11-15-13-23(9-10-26-15)12-14-3-2-4-16-19-6-8-24(14)16/h2-8,15H,9-13H2,1H3,(H,20,21).
What are the key properties of 3-[[4-(imidazo[1,2-a]pyridin-5-ylmethyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one?
3-[[4-(imidazo[1,2-a]pyridin-5-ylmethyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one has a molecular weight of 354.41 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(imidazo[1,2-a]pyridin-5-ylmethyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one is sourced from PubChem (CID 129003384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).