[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone

C18H19N5O3S — CID 122261194

IUPAC[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
SMILESCOc1nccc(OC2CCCN(C(=O)c3cc(-c4cccs4)[nH]n3)C2)n1
InChIInChI=1S/C18H19N5O3S/c1-25-18-19-7-6-16(20-18)26-12-4-2-8-23(11-12)17(24)14-10-13(21-22-14)15-5-3-9-27-15/h3,5-7,9-10,12H,2,4,8,11H2,1H3,(H,21,22)
InChIKeyQDHKKMOPAKNVTC-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.62
Rot. Bonds5

About [3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone

[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone (PubChem CID 122261194) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is [3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
PubChem CID122261194
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC Name[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
SMILESCOc1nccc(OC2CCCN(C(=O)c3cc(-c4cccs4)[nH]n3)C2)n1
InChIInChI=1S/C18H19N5O3S/c1-25-18-19-7-6-16(20-18)26-12-4-2-8-23(11-12)17(24)14-10-13(21-22-14)15-5-3-9-27-15/h3,5-7,9-10,12H,2,4,8,11H2,1H3,(H,21,22)
InChIKeyQDHKKMOPAKNVTC-UHFFFAOYSA-N
XLogP2.62
TPSA93.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(5-thiophen-2-yl-1H-pyrazol-3-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone
CID 122267366
1-benzothiophen-2-yl-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261508
[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
CID 122261417
[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylphenyl)methanone
CID 122261254
(3-bromophenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261282
3H-benzimidazol-5-yl-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261199
(3,4-dimethylphenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261258
(4-bromophenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261283
1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 122261229
(5-thiophen-2-yl-1H-pyrazol-3-yl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251240
6-hydroxy-4-[3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one
CID 122261521
[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone
CID 122261217

Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone (CID 122261194) is [3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone is COc1nccc(OC2CCCN(C(=O)c3cc(-c4cccs4)[nH]n3)C2)n1.
What is the InChIKey of [3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone?
The InChIKey is QDHKKMOPAKNVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-25-18-19-7-6-16(20-18)26-12-4-2-8-23(11-12)17(24)14-10-13(21-22-14)15-5-3-9-27-15/h3,5-7,9-10,12H,2,4,8,11H2,1H3,(H,21,22).
What are the key properties of [3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone?
[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone has a molecular weight of 385.45 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 122261194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).