[8-methyl-3-[(2-pyridin-2-ylethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone

C21H25N5O2 — CID 24793274

IUPAC[8-methyl-3-[(2-pyridin-2-ylethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
SMILESCc1cccn2c(CNCCc3ccccn3)c(C(=O)N3CCOCC3)nc12
InChIInChI=1S/C21H25N5O2/c1-16-5-4-10-26-18(15-22-9-7-17-6-2-3-8-23-17)19(24-20(16)26)21(27)25-11-13-28-14-12-25/h2-6,8,10,22H,7,9,11-15H2,1H3
InChIKeyDYNQSAPIDXMAII-UHFFFAOYSA-N
MW379.46 g/mol
LogP1.84
Rot. Bonds6

About [8-methyl-3-[(2-pyridin-2-ylethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone

[8-methyl-3-[(2-pyridin-2-ylethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone (PubChem CID 24793274) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is [8-methyl-3-[(2-pyridin-2-ylethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[8-methyl-3-[(2-pyridin-2-ylethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
PubChem CID24793274
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name[8-methyl-3-[(2-pyridin-2-ylethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
SMILESCc1cccn2c(CNCCc3ccccn3)c(C(=O)N3CCOCC3)nc12
InChIInChI=1S/C21H25N5O2/c1-16-5-4-10-26-18(15-22-9-7-17-6-2-3-8-23-17)19(24-20(16)26)21(27)25-11-13-28-14-12-25/h2-6,8,10,22H,7,9,11-15H2,1H3
InChIKeyDYNQSAPIDXMAII-UHFFFAOYSA-N
XLogP1.84
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [8-methyl-3-[(2-pyridin-2-ylethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [8-methyl-3-[(2-pyridin-2-ylethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone (CID 24793274) is [8-methyl-3-[(2-pyridin-2-ylethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [8-methyl-3-[(2-pyridin-2-ylethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [8-methyl-3-[(2-pyridin-2-ylethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone is Cc1cccn2c(CNCCc3ccccn3)c(C(=O)N3CCOCC3)nc12.
What is the InChIKey of [8-methyl-3-[(2-pyridin-2-ylethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is DYNQSAPIDXMAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-16-5-4-10-26-18(15-22-9-7-17-6-2-3-8-23-17)19(24-20(16)26)21(27)25-11-13-28-14-12-25/h2-6,8,10,22H,7,9,11-15H2,1H3.
What are the key properties of [8-methyl-3-[(2-pyridin-2-ylethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone?
[8-methyl-3-[(2-pyridin-2-ylethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 379.46 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-methyl-3-[(2-pyridin-2-ylethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 24793274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).