5-methoxy-2-[1-(4-pyrazol-1-ylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine

C19H21N5O4S — CID 154581921

IUPAC5-methoxy-2-[1-(4-pyrazol-1-ylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
SMILESCOc1cnc(OC2CCN(S(=O)(=O)c3ccc(-n4cccn4)cc3)CC2)nc1
InChIInChI=1S/C19H21N5O4S/c1-27-17-13-20-19(21-14-17)28-16-7-11-23(12-8-16)29(25,26)18-5-3-15(4-6-18)24-10-2-9-22-24/h2-6,9-10,13-14,16H,7-8,11-12H2,1H3
InChIKeyYHEXBHRWLJIDQD-UHFFFAOYSA-N
MW415.48 g/mol
LogP1.90
Rot. Bonds6

About 5-methoxy-2-[1-(4-pyrazol-1-ylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine

5-methoxy-2-[1-(4-pyrazol-1-ylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine (PubChem CID 154581921) has the molecular formula C19H21N5O4S and a molecular weight of 415.48 g/mol. Its IUPAC name is 5-methoxy-2-[1-(4-pyrazol-1-ylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine.

Molecular Properties

Compound Name5-methoxy-2-[1-(4-pyrazol-1-ylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
PubChem CID154581921
Molecular FormulaC19H21N5O4S
Molecular Weight415.48 g/mol
Exact Mass415.13
IUPAC Name5-methoxy-2-[1-(4-pyrazol-1-ylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
SMILESCOc1cnc(OC2CCN(S(=O)(=O)c3ccc(-n4cccn4)cc3)CC2)nc1
InChIInChI=1S/C19H21N5O4S/c1-27-17-13-20-19(21-14-17)28-16-7-11-23(12-8-16)29(25,26)18-5-3-15(4-6-18)24-10-2-9-22-24/h2-6,9-10,13-14,16H,7-8,11-12H2,1H3
InChIKeyYHEXBHRWLJIDQD-UHFFFAOYSA-N
XLogP1.90
TPSA99.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 90558874
2-fluoro-6-[1-(4-pyrazol-1-ylphenyl)sulfonylpiperidin-4-yl]oxypyridine
CID 172893544
2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 90558894
3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine
CID 121163360
1-[4-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione
CID 138988529
N-(2-methoxypyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide
CID 122301720
3-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyridine
CID 90566188
ethyl 4-(4-pyrazol-1-ylphenyl)sulfonylpiperazine-1-carboxylate
CID 45491519
5-methoxy-2-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]oxypyrimidine
CID 163348273
7-phenyl-4-(4-pyrazol-1-ylphenyl)sulfonyl-1,4-thiazepane 1,1-dioxide
CID 119104382
N-[5-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
CID 154581936
2-methoxy-4-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 121161670

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[1-(4-pyrazol-1-ylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine?
The IUPAC name of 5-methoxy-2-[1-(4-pyrazol-1-ylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine (CID 154581921) is 5-methoxy-2-[1-(4-pyrazol-1-ylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine.
What is the SMILES notation for 5-methoxy-2-[1-(4-pyrazol-1-ylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine?
The canonical SMILES for 5-methoxy-2-[1-(4-pyrazol-1-ylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine is COc1cnc(OC2CCN(S(=O)(=O)c3ccc(-n4cccn4)cc3)CC2)nc1.
What is the InChIKey of 5-methoxy-2-[1-(4-pyrazol-1-ylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine?
The InChIKey is YHEXBHRWLJIDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4S/c1-27-17-13-20-19(21-14-17)28-16-7-11-23(12-8-16)29(25,26)18-5-3-15(4-6-18)24-10-2-9-22-24/h2-6,9-10,13-14,16H,7-8,11-12H2,1H3.
What are the key properties of 5-methoxy-2-[1-(4-pyrazol-1-ylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine?
5-methoxy-2-[1-(4-pyrazol-1-ylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine has a molecular weight of 415.48 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[1-(4-pyrazol-1-ylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine is sourced from PubChem (CID 154581921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).