1-[(2S)-2-[[2-[2,6-difluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholin-4-yl]ethanone

C23H22F2N6O2 — CID 167370634

IUPAC1-[(2S)-2-[[2-[2,6-difluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholin-4-yl]ethanone
SMILESCC(=O)N1CCO[C@@H](Cc2c(-c3c(F)cc(-c4ncn[nH]4)cc3F)nc3cc(C)ccn23)C1
InChIInChI=1S/C23H22F2N6O2/c1-13-3-4-31-19(10-16-11-30(14(2)32)5-6-33-16)22(28-20(31)7-13)21-17(24)8-15(9-18(21)25)23-26-12-27-29-23/h3-4,7-9,12,16H,5-6,10-11H2,1-2H3,(H,26,27,29)/t16-/m0/s1
InChIKeyGPTAIRMKMYVYGX-INIZCTEOSA-N
MW452.47 g/mol
LogP3.16
Rot. Bonds4

About 1-[(2S)-2-[[2-[2,6-difluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholin-4-yl]ethanone

1-[(2S)-2-[[2-[2,6-difluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholin-4-yl]ethanone (PubChem CID 167370634) has the molecular formula C23H22F2N6O2 and a molecular weight of 452.47 g/mol. Its IUPAC name is 1-[(2S)-2-[[2-[2,6-difluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-[[2-[2,6-difluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholin-4-yl]ethanone
PubChem CID167370634
Molecular FormulaC23H22F2N6O2
Molecular Weight452.47 g/mol
Exact Mass452.18
IUPAC Name1-[(2S)-2-[[2-[2,6-difluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholin-4-yl]ethanone
SMILESCC(=O)N1CCO[C@@H](Cc2c(-c3c(F)cc(-c4ncn[nH]4)cc3F)nc3cc(C)ccn23)C1
InChIInChI=1S/C23H22F2N6O2/c1-13-3-4-31-19(10-16-11-30(14(2)32)5-6-33-16)22(28-20(31)7-13)21-17(24)8-15(9-18(21)25)23-26-12-27-29-23/h3-4,7-9,12,16H,5-6,10-11H2,1-2H3,(H,26,27,29)/t16-/m0/s1
InChIKeyGPTAIRMKMYVYGX-INIZCTEOSA-N
XLogP3.16
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.47
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(2S)-2-[[2-[2,6-difluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholin-4-yl]ethanone with MolForge

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Related Compounds

1-[4-[3-[[(2S)-4-acetylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-3,5-difluorophenyl]imidazolidin-2-one
CID 162354624
(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
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-(4,5-dihydro-1H-imidazol-2-yl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
CID 175169250
methyl 2-[[2-[2,6-difluoro-4-(1-methylpyrrol-2-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 154963274
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
methyl (2S)-2-[[2-[2,6-difluoro-4-(3-hydroxyoxetan-3-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 162354661
methyl (2S)-2-[[2-[2,6-difluoro-4-(2-methylphenyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 154963316
(2S)-2-[[2-(2,6-difluoro-4-thiophen-2-ylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
CID 175046404
1-[2-[3,5-difluoro-4-[3-[(4-methoxycarbonylmorpholin-2-yl)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]-1H-imidazol-5-yl]cyclopropane-1-carboxylic acid
CID 166769597
methyl 2-[[2-[2,6-difluoro-4-(5-hydroxy-2-pyridinyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 163481632
tert-butyl (2S)-2-[[2-[4-(4,4-dimethyl-5-oxo-1H-imidazol-2-yl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 163208474

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[[2-[2,6-difluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholin-4-yl]ethanone?
The IUPAC name of 1-[(2S)-2-[[2-[2,6-difluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholin-4-yl]ethanone (CID 167370634) is 1-[(2S)-2-[[2-[2,6-difluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-[[2-[2,6-difluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholin-4-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-[[2-[2,6-difluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholin-4-yl]ethanone is CC(=O)N1CCO[C@@H](Cc2c(-c3c(F)cc(-c4ncn[nH]4)cc3F)nc3cc(C)ccn23)C1.
What is the InChIKey of 1-[(2S)-2-[[2-[2,6-difluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholin-4-yl]ethanone?
The InChIKey is GPTAIRMKMYVYGX-INIZCTEOSA-N. The full InChI is InChI=1S/C23H22F2N6O2/c1-13-3-4-31-19(10-16-11-30(14(2)32)5-6-33-16)22(28-20(31)7-13)21-17(24)8-15(9-18(21)25)23-26-12-27-29-23/h3-4,7-9,12,16H,5-6,10-11H2,1-2H3,(H,26,27,29)/t16-/m0/s1.
What are the key properties of 1-[(2S)-2-[[2-[2,6-difluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholin-4-yl]ethanone?
1-[(2S)-2-[[2-[2,6-difluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholin-4-yl]ethanone has a molecular weight of 452.47 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[[2-[2,6-difluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 167370634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).