furan-2-yl-[(3S)-3-(5-methylsulfonyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone

C19H24N4O4S — CID 95802825

IUPACfuran-2-yl-[(3S)-3-(5-methylsulfonyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESCS(=O)(=O)c1cnc(N2CCCC2)nc1[C@H]1CCCN(C(=O)c2ccco2)C1
InChIInChI=1S/C19H24N4O4S/c1-28(25,26)16-12-20-19(22-8-2-3-9-22)21-17(16)14-6-4-10-23(13-14)18(24)15-7-5-11-27-15/h5,7,11-12,14H,2-4,6,8-10,13H2,1H3/t14-/m0/s1
InChIKeySRIXFWFMXSXPCG-AWEZNQCLSA-N
MW404.49 g/mol
LogP2.09
Rot. Bonds4

About furan-2-yl-[(3S)-3-(5-methylsulfonyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone

furan-2-yl-[(3S)-3-(5-methylsulfonyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone (PubChem CID 95802825) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is furan-2-yl-[(3S)-3-(5-methylsulfonyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[(3S)-3-(5-methylsulfonyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
PubChem CID95802825
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC Namefuran-2-yl-[(3S)-3-(5-methylsulfonyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESCS(=O)(=O)c1cnc(N2CCCC2)nc1[C@H]1CCCN(C(=O)c2ccco2)C1
InChIInChI=1S/C19H24N4O4S/c1-28(25,26)16-12-20-19(22-8-2-3-9-22)21-17(16)14-6-4-10-23(13-14)18(24)15-7-5-11-27-15/h5,7,11-12,14H,2-4,6,8-10,13H2,1H3/t14-/m0/s1
InChIKeySRIXFWFMXSXPCG-AWEZNQCLSA-N
XLogP2.09
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze furan-2-yl-[(3S)-3-(5-methylsulfonyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

furan-2-yl-[3-[2-(4-methylpiperazin-1-yl)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone
CID 46952714
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CID 51584582
furan-2-yl-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone
CID 51584583
[4-(5-methylsulfonyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95798541
3-(furan-2-yl)-1-[4-(5-methylsulfonyl-2-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
CID 95798580
(5-methylfuran-2-yl)-[4-[2-(4-methylpiperidin-1-yl)-5-methylsulfonylpyrimidin-4-yl]piperidin-1-yl]methanone
CID 46954272
furan-2-yl-[(3S)-3-phenylpiperidin-1-yl]methanone
CID 740547
1-(5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-yl)azocane;hydrochloride
CID 154885101
1-(5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-yl)azepane;hydrochloride
CID 154888601
[(1R)-cyclohex-3-en-1-yl]-[4-(5-methylsulfonyl-2-piperidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 92603264
furan-2-yl-[3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 16670297
furan-2-yl-(3-phenylazepan-1-yl)methanone
CID 90608497

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[(3S)-3-(5-methylsulfonyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The IUPAC name of furan-2-yl-[(3S)-3-(5-methylsulfonyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone (CID 95802825) is furan-2-yl-[(3S)-3-(5-methylsulfonyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[(3S)-3-(5-methylsulfonyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[(3S)-3-(5-methylsulfonyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone is CS(=O)(=O)c1cnc(N2CCCC2)nc1[C@H]1CCCN(C(=O)c2ccco2)C1.
What is the InChIKey of furan-2-yl-[(3S)-3-(5-methylsulfonyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The InChIKey is SRIXFWFMXSXPCG-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-28(25,26)16-12-20-19(22-8-2-3-9-22)21-17(16)14-6-4-10-23(13-14)18(24)15-7-5-11-27-15/h5,7,11-12,14H,2-4,6,8-10,13H2,1H3/t14-/m0/s1.
What are the key properties of furan-2-yl-[(3S)-3-(5-methylsulfonyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
furan-2-yl-[(3S)-3-(5-methylsulfonyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone has a molecular weight of 404.49 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[(3S)-3-(5-methylsulfonyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95802825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).