4-[3-[[(2S,5S)-4-acetyl-5-methylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide

C25H30N4O3 — CID 118581314

IUPAC4-[3-[[(2S,5S)-4-acetyl-5-methylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(-c2nc3cc(C)ccn3c2C[C@H]2CN(C(C)=O)[C@@H](C)CO2)c(C)c1
InChIInChI=1S/C25H30N4O3/c1-15-8-9-28-22(12-20-13-29(18(4)30)17(3)14-32-20)24(27-23(28)10-15)21-7-6-19(11-16(21)2)25(31)26-5/h6-11,17,20H,12-14H2,1-5H3,(H,26,31)/t17-,20-/m0/s1
InChIKeyUCMDFFOZMFZQNG-PXNSSMCTSA-N
MW434.54 g/mol
LogP3.16
Rot. Bonds4

About 4-[3-[[(2S,5S)-4-acetyl-5-methylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide

4-[3-[[(2S,5S)-4-acetyl-5-methylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide (PubChem CID 118581314) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 4-[3-[[(2S,5S)-4-acetyl-5-methylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide.

Molecular Properties

Compound Name4-[3-[[(2S,5S)-4-acetyl-5-methylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide
PubChem CID118581314
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name4-[3-[[(2S,5S)-4-acetyl-5-methylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(-c2nc3cc(C)ccn3c2C[C@H]2CN(C(C)=O)[C@@H](C)CO2)c(C)c1
InChIInChI=1S/C25H30N4O3/c1-15-8-9-28-22(12-20-13-29(18(4)30)17(3)14-32-20)24(27-23(28)10-15)21-7-6-19(11-16(21)2)25(31)26-5/h6-11,17,20H,12-14H2,1-5H3,(H,26,31)/t17-,20-/m0/s1
InChIKeyUCMDFFOZMFZQNG-PXNSSMCTSA-N
XLogP3.16
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[[(2S,5S)-4-acetyl-5-methylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide?
The IUPAC name of 4-[3-[[(2S,5S)-4-acetyl-5-methylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide (CID 118581314) is 4-[3-[[(2S,5S)-4-acetyl-5-methylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide.
What is the SMILES notation for 4-[3-[[(2S,5S)-4-acetyl-5-methylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide?
The canonical SMILES for 4-[3-[[(2S,5S)-4-acetyl-5-methylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide is CNC(=O)c1ccc(-c2nc3cc(C)ccn3c2C[C@H]2CN(C(C)=O)[C@@H](C)CO2)c(C)c1.
What is the InChIKey of 4-[3-[[(2S,5S)-4-acetyl-5-methylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide?
The InChIKey is UCMDFFOZMFZQNG-PXNSSMCTSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-15-8-9-28-22(12-20-13-29(18(4)30)17(3)14-32-20)24(27-23(28)10-15)21-7-6-19(11-16(21)2)25(31)26-5/h6-11,17,20H,12-14H2,1-5H3,(H,26,31)/t17-,20-/m0/s1.
What are the key properties of 4-[3-[[(2S,5S)-4-acetyl-5-methylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide?
4-[3-[[(2S,5S)-4-acetyl-5-methylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide has a molecular weight of 434.54 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[(2S,5S)-4-acetyl-5-methylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide is sourced from PubChem (CID 118581314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).