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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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).