[6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C18H21N5O3 — CID 100730810

IUPAC[6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(O[C@H]2CCOC2)nc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H21N5O3/c24-17(14-2-3-16(21-12-14)26-15-4-11-25-13-15)22-7-9-23(10-8-22)18-19-5-1-6-20-18/h1-3,5-6,12,15H,4,7-11,13H2/t15-/m0/s1
InChIKeyLFUQUQYLVWFHHR-HNNXBMFYSA-N
MW355.40 g/mol
LogP1.00
Rot. Bonds4

About [6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

[6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 100730810) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is [6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID100730810
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name[6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(O[C@H]2CCOC2)nc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H21N5O3/c24-17(14-2-3-16(21-12-14)26-15-4-11-25-13-15)22-7-9-23(10-8-22)18-19-5-1-6-20-18/h1-3,5-6,12,15H,4,7-11,13H2/t15-/m0/s1
InChIKeyLFUQUQYLVWFHHR-HNNXBMFYSA-N
XLogP1.00
TPSA80.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone with MolForge

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Related Compounds

[6-(oxolan-3-yloxy)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 91815187
[4-(2-fluorophenyl)piperazin-1-yl]-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]methanone
CID 100729895
[6-(oxolan-3-yloxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone;hydrochloride
CID 68927330
ethyl 4-[6-[(3R)-oxolan-3-yl]oxypyridine-3-carbonyl]piperazine-1-carboxylate
CID 124892311
[6-(cyclopentylamino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109152191
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-6-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide
CID 100731047
[6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4155185
6-(oxolan-3-yloxy)-N-phenylpyridine-3-carboxamide
CID 91815160
[6-(1,4-oxazepan-4-yl)-3-pyridinyl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone
CID 56741230
(6-cyclopentyloxy-3-pyridinyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122341679
2-(oxolan-3-yloxy)pyridine-4-carboxylic acid
CID 63559237
(6-cyclopentyloxy-3-pyridinyl)-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122343117

Frequently Asked Questions

What is the IUPAC name of [6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 100730810) is [6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C(c1ccc(O[C@H]2CCOC2)nc1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of [6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is LFUQUQYLVWFHHR-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21N5O3/c24-17(14-2-3-16(21-12-14)26-15-4-11-25-13-15)22-7-9-23(10-8-22)18-19-5-1-6-20-18/h1-3,5-6,12,15H,4,7-11,13H2/t15-/m0/s1.
What are the key properties of [6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
[6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 355.40 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 100730810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).