[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-[3-(hydroxymethyl)-3-methylazetidin-1-yl]methanone

C24H30N4O2 — CID 138622200

IUPAC[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-[3-(hydroxymethyl)-3-methylazetidin-1-yl]methanone
SMILESCc1cccc(C)c1CNc1cc(C(=O)N2CC(C)(CO)C2)cn2c(C)c(C)nc12
InChIInChI=1S/C24H30N4O2/c1-15-7-6-8-16(2)20(15)10-25-21-9-19(11-28-18(4)17(3)26-22(21)28)23(30)27-12-24(5,13-27)14-29/h6-9,11,25,29H,10,12-14H2,1-5H3
InChIKeyGPFKINOVPIINSG-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.63
Rot. Bonds5

About [8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-[3-(hydroxymethyl)-3-methylazetidin-1-yl]methanone

[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-[3-(hydroxymethyl)-3-methylazetidin-1-yl]methanone (PubChem CID 138622200) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is [8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-[3-(hydroxymethyl)-3-methylazetidin-1-yl]methanone.

Molecular Properties

Compound Name[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-[3-(hydroxymethyl)-3-methylazetidin-1-yl]methanone
PubChem CID138622200
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-[3-(hydroxymethyl)-3-methylazetidin-1-yl]methanone
SMILESCc1cccc(C)c1CNc1cc(C(=O)N2CC(C)(CO)C2)cn2c(C)c(C)nc12
InChIInChI=1S/C24H30N4O2/c1-15-7-6-8-16(2)20(15)10-25-21-9-19(11-28-18(4)17(3)26-22(21)28)23(30)27-12-24(5,13-27)14-29/h6-9,11,25,29H,10,12-14H2,1-5H3
InChIKeyGPFKINOVPIINSG-UHFFFAOYSA-N
XLogP3.63
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-[3-(hydroxymethyl)-3-methylazetidin-1-yl]methanone?
The IUPAC name of [8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-[3-(hydroxymethyl)-3-methylazetidin-1-yl]methanone (CID 138622200) is [8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-[3-(hydroxymethyl)-3-methylazetidin-1-yl]methanone.
What is the SMILES notation for [8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-[3-(hydroxymethyl)-3-methylazetidin-1-yl]methanone?
The canonical SMILES for [8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-[3-(hydroxymethyl)-3-methylazetidin-1-yl]methanone is Cc1cccc(C)c1CNc1cc(C(=O)N2CC(C)(CO)C2)cn2c(C)c(C)nc12.
What is the InChIKey of [8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-[3-(hydroxymethyl)-3-methylazetidin-1-yl]methanone?
The InChIKey is GPFKINOVPIINSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-15-7-6-8-16(2)20(15)10-25-21-9-19(11-28-18(4)17(3)26-22(21)28)23(30)27-12-24(5,13-27)14-29/h6-9,11,25,29H,10,12-14H2,1-5H3.
What are the key properties of [8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-[3-(hydroxymethyl)-3-methylazetidin-1-yl]methanone?
[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-[3-(hydroxymethyl)-3-methylazetidin-1-yl]methanone has a molecular weight of 406.53 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-[3-(hydroxymethyl)-3-methylazetidin-1-yl]methanone is sourced from PubChem (CID 138622200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).