[(2R)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]-(6-imidazol-1-yl-2-pyridinyl)methanone

C19H16ClFN4O2 — CID 164643250

IUPAC[(2R)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]-(6-imidazol-1-yl-2-pyridinyl)methanone
SMILESO=C(c1cccc(-n2ccnc2)n1)N1CCO[C@H](c2ccc(F)cc2Cl)C1
InChIInChI=1S/C19H16ClFN4O2/c20-15-10-13(21)4-5-14(15)17-11-24(8-9-27-17)19(26)16-2-1-3-18(23-16)25-7-6-22-12-25/h1-7,10,12,17H,8-9,11H2/t17-/m0/s1
InChIKeyPQGDOTKKFCCAAR-KRWDZBQOSA-N
MW386.81 g/mol
LogP3.27
Rot. Bonds3

About [(2R)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]-(6-imidazol-1-yl-2-pyridinyl)methanone

[(2R)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]-(6-imidazol-1-yl-2-pyridinyl)methanone (PubChem CID 164643250) has the molecular formula C19H16ClFN4O2 and a molecular weight of 386.81 g/mol. Its IUPAC name is [(2R)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]-(6-imidazol-1-yl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[(2R)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]-(6-imidazol-1-yl-2-pyridinyl)methanone
PubChem CID164643250
Molecular FormulaC19H16ClFN4O2
Molecular Weight386.81 g/mol
Exact Mass386.09
IUPAC Name[(2R)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]-(6-imidazol-1-yl-2-pyridinyl)methanone
SMILESO=C(c1cccc(-n2ccnc2)n1)N1CCO[C@H](c2ccc(F)cc2Cl)C1
InChIInChI=1S/C19H16ClFN4O2/c20-15-10-13(21)4-5-14(15)17-11-24(8-9-27-17)19(26)16-2-1-3-18(23-16)25-7-6-22-12-25/h1-7,10,12,17H,8-9,11H2/t17-/m0/s1
InChIKeyPQGDOTKKFCCAAR-KRWDZBQOSA-N
XLogP3.27
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.81
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S)-2-(2-chloro-6-fluorophenyl)morpholin-4-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 68882695
3-{[3-(benzyloxy)-1-piperidinyl]methyl}-6-chloro-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide
CID 16188241
7-[(2-Chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-(pyridin-3-ylmethoxy)purine-2,6-dione
CID 1288938
8-N-[(1R)-1-(2-chloro-4-fluorophenyl)propyl]-6-N-(1-pyrimidin-2-ylethyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 71695816
6-N-[(1R)-1-(2-chloro-4-fluorophenyl)propyl]-8-N-(1-pyrimidin-2-ylethyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 89734067
8-(4-Chloro-2-fluorophenyl)-2-(difluoromethyl)-3-methyl-6-[2-(2-methyl-4-pyridyl)morpholino]pyrimido[5,4-d]pyrimidin-4-one
CID 172612143
8-(4-chloro-2-fluorophenyl)-2-(difluoromethyl)-3-methyl-6-[(2R)-2-(2-methyl-4-pyridyl)morpholino]pyrimido[5,4-d]pyrimidin-4-one
CID 172612174
Econazole & Isoniazid & Pyrazinamide
CID 15954511
2-(4-Chlorophenyl)-4-[4-(pyrrolidin-1-ylcarbonyl)pyridin-2-yl]morpholine
CID 56881014
2-({4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidin-1-yl}carbonyl)-6-(methoxymethyl)pyridine
CID 72894947
2-{5-[6-(2-Chlorophenyl)-5H,6H,8H-imidazo[4,3-C][1,4]oxazin-1-YL]-1,2,4-oxadiazol-3-YL}pyridine
CID 87053803
3-{5-[6-(2-Chlorophenyl)-5H,6H,8H-imidazo[4,3-C][1,4]oxazin-1-YL]-1,2,4-oxadiazol-3-YL}pyridine
CID 87053804

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]-(6-imidazol-1-yl-2-pyridinyl)methanone?
The IUPAC name of [(2R)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]-(6-imidazol-1-yl-2-pyridinyl)methanone (CID 164643250) is [(2R)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]-(6-imidazol-1-yl-2-pyridinyl)methanone.
What is the SMILES notation for [(2R)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]-(6-imidazol-1-yl-2-pyridinyl)methanone?
The canonical SMILES for [(2R)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]-(6-imidazol-1-yl-2-pyridinyl)methanone is O=C(c1cccc(-n2ccnc2)n1)N1CCO[C@H](c2ccc(F)cc2Cl)C1.
What is the InChIKey of [(2R)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]-(6-imidazol-1-yl-2-pyridinyl)methanone?
The InChIKey is PQGDOTKKFCCAAR-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H16ClFN4O2/c20-15-10-13(21)4-5-14(15)17-11-24(8-9-27-17)19(26)16-2-1-3-18(23-16)25-7-6-22-12-25/h1-7,10,12,17H,8-9,11H2/t17-/m0/s1.
What are the key properties of [(2R)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]-(6-imidazol-1-yl-2-pyridinyl)methanone?
[(2R)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]-(6-imidazol-1-yl-2-pyridinyl)methanone has a molecular weight of 386.81 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]-(6-imidazol-1-yl-2-pyridinyl)methanone is sourced from PubChem (CID 164643250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).