(2S)-2-[[2-(1-acetylpiperidin-4-yl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid

C21H28N4O4 — CID 166769661

IUPAC(2S)-2-[[2-(1-acetylpiperidin-4-yl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
SMILESCC(=O)N1CCC(c2nc3cc(C)ccn3c2C[C@H]2CN(C(=O)O)CCO2)CC1
InChIInChI=1S/C21H28N4O4/c1-14-3-8-25-18(12-17-13-24(21(27)28)9-10-29-17)20(22-19(25)11-14)16-4-6-23(7-5-16)15(2)26/h3,8,11,16-17H,4-7,9-10,12-13H2,1-2H3,(H,27,28)/t17-/m0/s1
InChIKeyKNMPHKPAEZORPS-KRWDZBQOSA-N
MW400.48 g/mol
LogP2.29
Rot. Bonds3

About (2S)-2-[[2-(1-acetylpiperidin-4-yl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid

(2S)-2-[[2-(1-acetylpiperidin-4-yl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid (PubChem CID 166769661) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is (2S)-2-[[2-(1-acetylpiperidin-4-yl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(1-acetylpiperidin-4-yl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
PubChem CID166769661
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC Name(2S)-2-[[2-(1-acetylpiperidin-4-yl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
SMILESCC(=O)N1CCC(c2nc3cc(C)ccn3c2C[C@H]2CN(C(=O)O)CCO2)CC1
InChIInChI=1S/C21H28N4O4/c1-14-3-8-25-18(12-17-13-24(21(27)28)9-10-29-17)20(22-19(25)11-14)16-4-6-23(7-5-16)15(2)26/h3,8,11,16-17H,4-7,9-10,12-13H2,1-2H3,(H,27,28)/t17-/m0/s1
InChIKeyKNMPHKPAEZORPS-KRWDZBQOSA-N
XLogP2.29
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[2,6-difluoro-4-(methylcarbamoyloxy)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
CID 175039705
2-[[2-[4-(2,5-dioxopyrrolidin-1-yl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
CID 175041705
(2S)-2-[[2-[2,6-difluoro-4-(oxan-4-ylamino)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
CID 166769697
2-[[2-[2,6-difluoro-4-(3-hydroxyoxetan-3-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
CID 175363015
(2S)-2-[[2-[4-(aminomethylsulfonyl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
CID 175437897
(2S)-2-[[2-[2,6-difluoro-4-(3-hydroxyoxetan-3-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
CID 175363014
(2S)-2-[[2-(4-bromo-2-chloro-5-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
CID 175046957
tert-butyl (2S)-2-[(2-acetyl-7-methylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine-4-carboxylate
CID 154964980
4-[3-[[(2S)-4-acetylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide
CID 118581307
(2S)-2-[[2-[2,6-difluoro-4-[1-(methylamino)cyclopropyl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
CID 166769586
2-[[2-[2,6-difluoro-4-(methoxycarbamoyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
CID 175167830
(2S)-2-[[7-methyl-2-[2,3,6-trifluoro-4-(methylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
CID 166709166

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(1-acetylpiperidin-4-yl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid?
The IUPAC name of (2S)-2-[[2-(1-acetylpiperidin-4-yl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid (CID 166769661) is (2S)-2-[[2-(1-acetylpiperidin-4-yl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid.
What is the SMILES notation for (2S)-2-[[2-(1-acetylpiperidin-4-yl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid?
The canonical SMILES for (2S)-2-[[2-(1-acetylpiperidin-4-yl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid is CC(=O)N1CCC(c2nc3cc(C)ccn3c2C[C@H]2CN(C(=O)O)CCO2)CC1.
What is the InChIKey of (2S)-2-[[2-(1-acetylpiperidin-4-yl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid?
The InChIKey is KNMPHKPAEZORPS-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-14-3-8-25-18(12-17-13-24(21(27)28)9-10-29-17)20(22-19(25)11-14)16-4-6-23(7-5-16)15(2)26/h3,8,11,16-17H,4-7,9-10,12-13H2,1-2H3,(H,27,28)/t17-/m0/s1.
What are the key properties of (2S)-2-[[2-(1-acetylpiperidin-4-yl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid?
(2S)-2-[[2-(1-acetylpiperidin-4-yl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid has a molecular weight of 400.48 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(1-acetylpiperidin-4-yl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid is sourced from PubChem (CID 166769661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).