[8-methyl-3-[[methyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone

C21H30N4O3 — CID 42290003

IUPAC[8-methyl-3-[[methyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
SMILESCc1cccn2c(CN(C)C[C@H]3CCCCO3)c(C(=O)N3CCOCC3)nc12
InChIInChI=1S/C21H30N4O3/c1-16-6-5-8-25-18(15-23(2)14-17-7-3-4-11-28-17)19(22-20(16)25)21(26)24-9-12-27-13-10-24/h5-6,8,17H,3-4,7,9-15H2,1-2H3/t17-/m1/s1
InChIKeySCHHOCUMJVINQI-QGZVFWFLSA-N
MW386.50 g/mol
LogP2.12
Rot. Bonds5

About [8-methyl-3-[[methyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone

[8-methyl-3-[[methyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone (PubChem CID 42290003) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is [8-methyl-3-[[methyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[8-methyl-3-[[methyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
PubChem CID42290003
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name[8-methyl-3-[[methyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
SMILESCc1cccn2c(CN(C)C[C@H]3CCCCO3)c(C(=O)N3CCOCC3)nc12
InChIInChI=1S/C21H30N4O3/c1-16-6-5-8-25-18(15-23(2)14-17-7-3-4-11-28-17)19(22-20(16)25)21(26)24-9-12-27-13-10-24/h5-6,8,17H,3-4,7,9-15H2,1-2H3/t17-/m1/s1
InChIKeySCHHOCUMJVINQI-QGZVFWFLSA-N
XLogP2.12
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[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
9-methyl-2-[[methyl(oxan-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 56818277
[3-[[(2,2-dimethyloxan-4-yl)amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
CID 45209587
[3-[[(2R)-2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
CID 95555324
[3-[[(2S)-2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
CID 95555325
1-[[8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-2-carboxamide
CID 56879410
N-methyl-5-[[methyl(oxan-2-ylmethyl)amino]methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 45246149
[3-[(3-hydroxyazetidin-1-yl)methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
CID 56863813
[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
CID 56861689
[5-[[cyclobutylmethyl(oxolan-2-ylmethyl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 45200191
[3-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
CID 45239495

Frequently Asked Questions

What is the IUPAC name of [8-methyl-3-[[methyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [8-methyl-3-[[methyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone (CID 42290003) is [8-methyl-3-[[methyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [8-methyl-3-[[methyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [8-methyl-3-[[methyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone is Cc1cccn2c(CN(C)C[C@H]3CCCCO3)c(C(=O)N3CCOCC3)nc12.
What is the InChIKey of [8-methyl-3-[[methyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is SCHHOCUMJVINQI-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-16-6-5-8-25-18(15-23(2)14-17-7-3-4-11-28-17)19(22-20(16)25)21(26)24-9-12-27-13-10-24/h5-6,8,17H,3-4,7,9-15H2,1-2H3/t17-/m1/s1.
What are the key properties of [8-methyl-3-[[methyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone?
[8-methyl-3-[[methyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 386.50 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-methyl-3-[[methyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 42290003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).