[(2R)-oxolan-2-yl]-[4-(4-propan-2-yl-2-pyridin-2-ylpyrimidin-5-yl)sulfonylpiperazin-1-yl]methanone

C21H27N5O4S — CID 92580696

IUPAC[(2R)-oxolan-2-yl]-[4-(4-propan-2-yl-2-pyridin-2-ylpyrimidin-5-yl)sulfonylpiperazin-1-yl]methanone
SMILESCC(C)c1nc(-c2ccccn2)ncc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1
InChIInChI=1S/C21H27N5O4S/c1-15(2)19-18(14-23-20(24-19)16-6-3-4-8-22-16)31(28,29)26-11-9-25(10-12-26)21(27)17-7-5-13-30-17/h3-4,6,8,14-15,17H,5,7,9-13H2,1-2H3/t17-/m1/s1
InChIKeyPBENXSFTLIVZQR-QGZVFWFLSA-N
MW445.55 g/mol
LogP1.67
Rot. Bonds5

About [(2R)-oxolan-2-yl]-[4-(4-propan-2-yl-2-pyridin-2-ylpyrimidin-5-yl)sulfonylpiperazin-1-yl]methanone

[(2R)-oxolan-2-yl]-[4-(4-propan-2-yl-2-pyridin-2-ylpyrimidin-5-yl)sulfonylpiperazin-1-yl]methanone (PubChem CID 92580696) has the molecular formula C21H27N5O4S and a molecular weight of 445.55 g/mol. Its IUPAC name is [(2R)-oxolan-2-yl]-[4-(4-propan-2-yl-2-pyridin-2-ylpyrimidin-5-yl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[(2R)-oxolan-2-yl]-[4-(4-propan-2-yl-2-pyridin-2-ylpyrimidin-5-yl)sulfonylpiperazin-1-yl]methanone
PubChem CID92580696
Molecular FormulaC21H27N5O4S
Molecular Weight445.55 g/mol
Exact Mass445.18
IUPAC Name[(2R)-oxolan-2-yl]-[4-(4-propan-2-yl-2-pyridin-2-ylpyrimidin-5-yl)sulfonylpiperazin-1-yl]methanone
SMILESCC(C)c1nc(-c2ccccn2)ncc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1
InChIInChI=1S/C21H27N5O4S/c1-15(2)19-18(14-23-20(24-19)16-6-3-4-8-22-16)31(28,29)26-11-9-25(10-12-26)21(27)17-7-5-13-30-17/h3-4,6,8,14-15,17H,5,7,9-13H2,1-2H3/t17-/m1/s1
InChIKeyPBENXSFTLIVZQR-QGZVFWFLSA-N
XLogP1.67
TPSA105.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.55
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(2R)-oxolan-2-yl]-[4-(4-propan-2-yl-2-pyridin-2-ylpyrimidin-5-yl)sulfonylpiperazin-1-yl]methanone with MolForge

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Related Compounds

oxolan-2-yl-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 86844171
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 9370296
[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 22772856
[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 47027374
1-methyl-4-[4-(5-methylsulfonyl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 110214414
[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 51983158
oxolan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 2970302
[4-(4-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 51169379
[(2S)-oxolan-2-yl]-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 126783230
oxan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854880
2-[1-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]ethylidene]indene-1,3-dione
CID 2025294
[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 56810069

Frequently Asked Questions

What is the IUPAC name of [(2R)-oxolan-2-yl]-[4-(4-propan-2-yl-2-pyridin-2-ylpyrimidin-5-yl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of [(2R)-oxolan-2-yl]-[4-(4-propan-2-yl-2-pyridin-2-ylpyrimidin-5-yl)sulfonylpiperazin-1-yl]methanone (CID 92580696) is [(2R)-oxolan-2-yl]-[4-(4-propan-2-yl-2-pyridin-2-ylpyrimidin-5-yl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for [(2R)-oxolan-2-yl]-[4-(4-propan-2-yl-2-pyridin-2-ylpyrimidin-5-yl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for [(2R)-oxolan-2-yl]-[4-(4-propan-2-yl-2-pyridin-2-ylpyrimidin-5-yl)sulfonylpiperazin-1-yl]methanone is CC(C)c1nc(-c2ccccn2)ncc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1.
What is the InChIKey of [(2R)-oxolan-2-yl]-[4-(4-propan-2-yl-2-pyridin-2-ylpyrimidin-5-yl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is PBENXSFTLIVZQR-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H27N5O4S/c1-15(2)19-18(14-23-20(24-19)16-6-3-4-8-22-16)31(28,29)26-11-9-25(10-12-26)21(27)17-7-5-13-30-17/h3-4,6,8,14-15,17H,5,7,9-13H2,1-2H3/t17-/m1/s1.
What are the key properties of [(2R)-oxolan-2-yl]-[4-(4-propan-2-yl-2-pyridin-2-ylpyrimidin-5-yl)sulfonylpiperazin-1-yl]methanone?
[(2R)-oxolan-2-yl]-[4-(4-propan-2-yl-2-pyridin-2-ylpyrimidin-5-yl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 445.55 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-oxolan-2-yl]-[4-(4-propan-2-yl-2-pyridin-2-ylpyrimidin-5-yl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 92580696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).