7-(1-cyclohexylsulfonylpiperidin-4-yl)-N-(2-fluoro-4-methylsulfonylphenyl)furo[3,2-d]pyrimidin-4-amine

C24H29FN4O5S2 — CID 56592072

IUPAC7-(1-cyclohexylsulfonylpiperidin-4-yl)-N-(2-fluoro-4-methylsulfonylphenyl)furo[3,2-d]pyrimidin-4-amine
SMILESCS(=O)(=O)c1ccc(Nc2ncnc3c(C4CCN(S(=O)(=O)C5CCCCC5)CC4)coc23)c(F)c1
InChIInChI=1S/C24H29FN4O5S2/c1-35(30,31)18-7-8-21(20(25)13-18)28-24-23-22(26-15-27-24)19(14-34-23)16-9-11-29(12-10-16)36(32,33)17-5-3-2-4-6-17/h7-8,13-17H,2-6,9-12H2,1H3,(H,26,27,28)
InChIKeyOQPOZNHXBHYKCG-UHFFFAOYSA-N
MW536.65 g/mol
LogP4.35
Rot. Bonds6

About 7-(1-cyclohexylsulfonylpiperidin-4-yl)-N-(2-fluoro-4-methylsulfonylphenyl)furo[3,2-d]pyrimidin-4-amine

7-(1-cyclohexylsulfonylpiperidin-4-yl)-N-(2-fluoro-4-methylsulfonylphenyl)furo[3,2-d]pyrimidin-4-amine (PubChem CID 56592072) has the molecular formula C24H29FN4O5S2 and a molecular weight of 536.65 g/mol. Its IUPAC name is 7-(1-cyclohexylsulfonylpiperidin-4-yl)-N-(2-fluoro-4-methylsulfonylphenyl)furo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(1-cyclohexylsulfonylpiperidin-4-yl)-N-(2-fluoro-4-methylsulfonylphenyl)furo[3,2-d]pyrimidin-4-amine
PubChem CID56592072
Molecular FormulaC24H29FN4O5S2
Molecular Weight536.65 g/mol
Exact Mass536.16
IUPAC Name7-(1-cyclohexylsulfonylpiperidin-4-yl)-N-(2-fluoro-4-methylsulfonylphenyl)furo[3,2-d]pyrimidin-4-amine
SMILESCS(=O)(=O)c1ccc(Nc2ncnc3c(C4CCN(S(=O)(=O)C5CCCCC5)CC4)coc23)c(F)c1
InChIInChI=1S/C24H29FN4O5S2/c1-35(30,31)18-7-8-21(20(25)13-18)28-24-23-22(26-15-27-24)19(14-34-23)16-9-11-29(12-10-16)36(32,33)17-5-3-2-4-6-17/h7-8,13-17H,2-6,9-12H2,1H3,(H,26,27,28)
InChIKeyOQPOZNHXBHYKCG-UHFFFAOYSA-N
XLogP4.35
TPSA122.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.65
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-fluoro-4-methylsulfonylphenyl)-7-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]furo[3,2-d]pyrimidin-4-amine
CID 56592155
7-[1-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-N-(2-fluoro-4-methylsulfonylphenyl)furo[3,2-d]pyrimidin-4-amine
CID 56592070
N-(2-fluoro-4-methylsulfonylphenyl)-7-(1-thiophen-2-ylsulfonylpiperidin-4-yl)furo[3,2-d]pyrimidin-4-amine
CID 56592154
7-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]-N-(2-fluoro-4-methylsulfonylphenyl)furo[3,2-d]pyrimidin-4-amine
CID 56591986
(4,4-difluorocyclohexyl) 4-[4-(2-fluoro-4-methylsulfonylanilino)furo[3,2-d]pyrimidin-7-yl]piperidine-1-carboxylate
CID 56592503
6-[(7-cyclopropylsulfonyl-2,4-dimethyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-yl)oxy]-N-(2-fluoro-4-methylsulfonylphenyl)-5-methylpyrimidin-4-amine
CID 58414906
N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine
CID 58061798
[4-(2-fluoro-4-methylsulfonylanilino)-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-5-yl]-dioxidoazanium
CID 163556272
N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine
CID 58061796
N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-9-azabicyclo[4.2.1]nonan-9-yl]pyrimidin-4-amine
CID 91035234
(1-methylcyclobutyl) 8-[[6-(2-fluoro-4-methylsulfonylanilino)-5-methylpyrimidin-4-yl]oxymethyl]-3-azabicyclo[3.2.1]octane-3-carboxylate
CID 58414696
(1-methylcyclopropyl) (1S,5S)-3-[4-(2-fluoro-4-methylsulfonylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 58338144

Frequently Asked Questions

What is the IUPAC name of 7-(1-cyclohexylsulfonylpiperidin-4-yl)-N-(2-fluoro-4-methylsulfonylphenyl)furo[3,2-d]pyrimidin-4-amine?
The IUPAC name of 7-(1-cyclohexylsulfonylpiperidin-4-yl)-N-(2-fluoro-4-methylsulfonylphenyl)furo[3,2-d]pyrimidin-4-amine (CID 56592072) is 7-(1-cyclohexylsulfonylpiperidin-4-yl)-N-(2-fluoro-4-methylsulfonylphenyl)furo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(1-cyclohexylsulfonylpiperidin-4-yl)-N-(2-fluoro-4-methylsulfonylphenyl)furo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 7-(1-cyclohexylsulfonylpiperidin-4-yl)-N-(2-fluoro-4-methylsulfonylphenyl)furo[3,2-d]pyrimidin-4-amine is CS(=O)(=O)c1ccc(Nc2ncnc3c(C4CCN(S(=O)(=O)C5CCCCC5)CC4)coc23)c(F)c1.
What is the InChIKey of 7-(1-cyclohexylsulfonylpiperidin-4-yl)-N-(2-fluoro-4-methylsulfonylphenyl)furo[3,2-d]pyrimidin-4-amine?
The InChIKey is OQPOZNHXBHYKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O5S2/c1-35(30,31)18-7-8-21(20(25)13-18)28-24-23-22(26-15-27-24)19(14-34-23)16-9-11-29(12-10-16)36(32,33)17-5-3-2-4-6-17/h7-8,13-17H,2-6,9-12H2,1H3,(H,26,27,28).
What are the key properties of 7-(1-cyclohexylsulfonylpiperidin-4-yl)-N-(2-fluoro-4-methylsulfonylphenyl)furo[3,2-d]pyrimidin-4-amine?
7-(1-cyclohexylsulfonylpiperidin-4-yl)-N-(2-fluoro-4-methylsulfonylphenyl)furo[3,2-d]pyrimidin-4-amine has a molecular weight of 536.65 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-cyclohexylsulfonylpiperidin-4-yl)-N-(2-fluoro-4-methylsulfonylphenyl)furo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 56592072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).