[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-(2-methylimidazo[1,2-a]pyrimidin-3-yl)methanone

C19H19FN4O2 — CID 45234681

IUPAC[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-(2-methylimidazo[1,2-a]pyrimidin-3-yl)methanone
SMILESCc1nc2ncccn2c1C(=O)N1CCOC(Cc2cccc(F)c2)C1
InChIInChI=1S/C19H19FN4O2/c1-13-17(24-7-3-6-21-19(24)22-13)18(25)23-8-9-26-16(12-23)11-14-4-2-5-15(20)10-14/h2-7,10,16H,8-9,11-12H2,1H3
InChIKeyBLYKKDMHLOJDAX-UHFFFAOYSA-N
MW354.39 g/mol
LogP2.26
Rot. Bonds3

About [2-[(3-fluorophenyl)methyl]morpholin-4-yl]-(2-methylimidazo[1,2-a]pyrimidin-3-yl)methanone

[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-(2-methylimidazo[1,2-a]pyrimidin-3-yl)methanone (PubChem CID 45234681) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is [2-[(3-fluorophenyl)methyl]morpholin-4-yl]-(2-methylimidazo[1,2-a]pyrimidin-3-yl)methanone.

Molecular Properties

Compound Name[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-(2-methylimidazo[1,2-a]pyrimidin-3-yl)methanone
PubChem CID45234681
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-(2-methylimidazo[1,2-a]pyrimidin-3-yl)methanone
SMILESCc1nc2ncccn2c1C(=O)N1CCOC(Cc2cccc(F)c2)C1
InChIInChI=1S/C19H19FN4O2/c1-13-17(24-7-3-6-21-19(24)22-13)18(25)23-8-9-26-16(12-23)11-14-4-2-5-15(20)10-14/h2-7,10,16H,8-9,11-12H2,1H3
InChIKeyBLYKKDMHLOJDAX-UHFFFAOYSA-N
XLogP2.26
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4H-Imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-3-(2-ethoxyethyl)-5-phenyl-
CID 3071977
N-methyl-1-[8-methyl-2-(piperidin-1-ylcarbonyl)imidazo[1,2-a]pyridin-3-yl]-N-(tetrahydro-2H-pyran-2-ylmethyl)methanamine
CID 16189229
N-benzyl-N-methyl-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 16190225
(3,4-dihydro-1H-isochromen-1-ylmethyl){[8-methyl-2-(piperidin-1-ylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}amine
CID 16191684
(R)-1-(3,4-difluorobenzyl)-5-ethyl-7-isopropyl-2-(6-(morpholine-4-carbonyl)pyridin-3-yl)-7,8-dihydro-1H-imidazo[2,1-b]purin-4(5H)-one
CID 54581675
(R)-1-(3,4-difluorobenzyl)-5-ethyl-7-isopropyl-2-(6-morpholinopyridin-3-yl)-7,8-dihydro-1H-imidazo[2,1-b]purin-4(5H)-one
CID 54585520
[4-[2-(2,4-Difluorophenyl)ethyl]piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
CID 57391359
1-(2-Acetyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-((4-fluorobenzyl)oxy)pyridin-2(1H)-one
CID 89690968
6-[4-[(4-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]-N,N,3-trimethylimidazo[1,2-a]pyridine-2-carboxamide
CID 89702341
((2S,3R)-2-methyl-3-((5-(trifluoromethyl)pyrimidin-2-yl)oxy)piperidin-1-yl)(3-phenylpyrazin-2-yl)methanone
CID 117636013
US10858362, Example 30, isomer 1
CID 122652425
US10858362, Example 30, isomer 2
CID 122652467

Frequently Asked Questions

What is the IUPAC name of [2-[(3-fluorophenyl)methyl]morpholin-4-yl]-(2-methylimidazo[1,2-a]pyrimidin-3-yl)methanone?
The IUPAC name of [2-[(3-fluorophenyl)methyl]morpholin-4-yl]-(2-methylimidazo[1,2-a]pyrimidin-3-yl)methanone (CID 45234681) is [2-[(3-fluorophenyl)methyl]morpholin-4-yl]-(2-methylimidazo[1,2-a]pyrimidin-3-yl)methanone.
What is the SMILES notation for [2-[(3-fluorophenyl)methyl]morpholin-4-yl]-(2-methylimidazo[1,2-a]pyrimidin-3-yl)methanone?
The canonical SMILES for [2-[(3-fluorophenyl)methyl]morpholin-4-yl]-(2-methylimidazo[1,2-a]pyrimidin-3-yl)methanone is Cc1nc2ncccn2c1C(=O)N1CCOC(Cc2cccc(F)c2)C1.
What is the InChIKey of [2-[(3-fluorophenyl)methyl]morpholin-4-yl]-(2-methylimidazo[1,2-a]pyrimidin-3-yl)methanone?
The InChIKey is BLYKKDMHLOJDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-13-17(24-7-3-6-21-19(24)22-13)18(25)23-8-9-26-16(12-23)11-14-4-2-5-15(20)10-14/h2-7,10,16H,8-9,11-12H2,1H3.
What are the key properties of [2-[(3-fluorophenyl)methyl]morpholin-4-yl]-(2-methylimidazo[1,2-a]pyrimidin-3-yl)methanone?
[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-(2-methylimidazo[1,2-a]pyrimidin-3-yl)methanone has a molecular weight of 354.39 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-fluorophenyl)methyl]morpholin-4-yl]-(2-methylimidazo[1,2-a]pyrimidin-3-yl)methanone is sourced from PubChem (CID 45234681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).