[3-[[(2R)-2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone

C19H24N4O3 — CID 95555324

IUPAC[3-[[(2R)-2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
SMILESCc1cccn2c(CN3CC=C[C@@H]3CO)c(C(=O)N3CCOCC3)nc12
InChIInChI=1S/C19H24N4O3/c1-14-4-2-7-23-16(12-22-6-3-5-15(22)13-24)17(20-18(14)23)19(25)21-8-10-26-11-9-21/h2-5,7,15,24H,6,8-13H2,1H3/t15-/m1/s1
InChIKeyDCNSPMUZIVZULT-OAHLLOKOSA-N
MW356.43 g/mol
LogP0.85
Rot. Bonds4

About [3-[[(2R)-2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone

[3-[[(2R)-2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone (PubChem CID 95555324) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is [3-[[(2R)-2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[[(2R)-2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
PubChem CID95555324
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name[3-[[(2R)-2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
SMILESCc1cccn2c(CN3CC=C[C@@H]3CO)c(C(=O)N3CCOCC3)nc12
InChIInChI=1S/C19H24N4O3/c1-14-4-2-7-23-16(12-22-6-3-5-15(22)13-24)17(20-18(14)23)19(25)21-8-10-26-11-9-21/h2-5,7,15,24H,6,8-13H2,1H3/t15-/m1/s1
InChIKeyDCNSPMUZIVZULT-OAHLLOKOSA-N
XLogP0.85
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[3-[[(2S)-2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
CID 95555325
[3-[[(2,2-dimethyloxan-4-yl)amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
CID 45209587
[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
CID 56861689
1-[[8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-2-carboxamide
CID 56879410
[8-methyl-3-[[methyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
CID 42290003
[3-[(3-hydroxyazetidin-1-yl)methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
CID 56863813
[8-methyl-3-[[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
CID 126461057
[3-[[[(2S)-2-hydroxy-2-phenylethyl]-methylamino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
CID 29022785
[8-methyl-3-[[methyl(propan-2-yl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
CID 56862032
3-[(4-acetylpiperazin-1-yl)methyl]-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 39122257
[8-methyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)imidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
CID 56863882
[3-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
CID 56873176

Frequently Asked Questions

What is the IUPAC name of [3-[[(2R)-2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[[(2R)-2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone (CID 95555324) is [3-[[(2R)-2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[[(2R)-2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[[(2R)-2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone is Cc1cccn2c(CN3CC=C[C@@H]3CO)c(C(=O)N3CCOCC3)nc12.
What is the InChIKey of [3-[[(2R)-2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is DCNSPMUZIVZULT-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-14-4-2-7-23-16(12-22-6-3-5-15(22)13-24)17(20-18(14)23)19(25)21-8-10-26-11-9-21/h2-5,7,15,24H,6,8-13H2,1H3/t15-/m1/s1.
What are the key properties of [3-[[(2R)-2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone?
[3-[[(2R)-2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 356.43 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(2R)-2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 95555324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).