[3-[[(2,2-dimethyloxan-4-yl)amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone

C21H30N4O3 — CID 45209587

IUPAC[3-[[(2,2-dimethyloxan-4-yl)amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
SMILESCc1cccn2c(CNC3CCOC(C)(C)C3)c(C(=O)N3CCOCC3)nc12
InChIInChI=1S/C21H30N4O3/c1-15-5-4-7-25-17(14-22-16-6-10-28-21(2,3)13-16)18(23-19(15)25)20(26)24-8-11-27-12-9-24/h4-5,7,16,22H,6,8-14H2,1-3H3
InChIKeyIOLJLDXUAXHCDJ-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.16
Rot. Bonds4

About [3-[[(2,2-dimethyloxan-4-yl)amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone

[3-[[(2,2-dimethyloxan-4-yl)amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone (PubChem CID 45209587) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is [3-[[(2,2-dimethyloxan-4-yl)amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[[(2,2-dimethyloxan-4-yl)amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
PubChem CID45209587
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name[3-[[(2,2-dimethyloxan-4-yl)amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
SMILESCc1cccn2c(CNC3CCOC(C)(C)C3)c(C(=O)N3CCOCC3)nc12
InChIInChI=1S/C21H30N4O3/c1-15-5-4-7-25-17(14-22-16-6-10-28-21(2,3)13-16)18(23-19(15)25)20(26)24-8-11-27-12-9-24/h4-5,7,16,22H,6,8-14H2,1-3H3
InChIKeyIOLJLDXUAXHCDJ-UHFFFAOYSA-N
XLogP2.16
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[[(2,2-dimethyloxan-4-yl)amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[[(2,2-dimethyloxan-4-yl)amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone (CID 45209587) is [3-[[(2,2-dimethyloxan-4-yl)amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[[(2,2-dimethyloxan-4-yl)amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[[(2,2-dimethyloxan-4-yl)amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone is Cc1cccn2c(CNC3CCOC(C)(C)C3)c(C(=O)N3CCOCC3)nc12.
What is the InChIKey of [3-[[(2,2-dimethyloxan-4-yl)amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is IOLJLDXUAXHCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-15-5-4-7-25-17(14-22-16-6-10-28-21(2,3)13-16)18(23-19(15)25)20(26)24-8-11-27-12-9-24/h4-5,7,16,22H,6,8-14H2,1-3H3.
What are the key properties of [3-[[(2,2-dimethyloxan-4-yl)amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone?
[3-[[(2,2-dimethyloxan-4-yl)amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 386.50 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(2,2-dimethyloxan-4-yl)amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 45209587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).