[(3R)-3-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(5-propylfuran-2-yl)methanone

C19H23N5O4S — CID 95797648

IUPAC[(3R)-3-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(5-propylfuran-2-yl)methanone
SMILESCCCc1ccc(C(=O)N2CCC[C@@H](c3c(S(C)(=O)=O)cnc4ncnn34)C2)o1
InChIInChI=1S/C19H23N5O4S/c1-3-5-14-7-8-15(28-14)18(25)23-9-4-6-13(11-23)17-16(29(2,26)27)10-20-19-21-12-22-24(17)19/h7-8,10,12-13H,3-6,9,11H2,1-2H3/t13-/m1/s1
InChIKeyUONKXUKLIOCFAI-CYBMUJFWSA-N
MW417.49 g/mol
LogP2.09
Rot. Bonds5

About [(3R)-3-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(5-propylfuran-2-yl)methanone

[(3R)-3-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(5-propylfuran-2-yl)methanone (PubChem CID 95797648) has the molecular formula C19H23N5O4S and a molecular weight of 417.49 g/mol. Its IUPAC name is [(3R)-3-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(5-propylfuran-2-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(5-propylfuran-2-yl)methanone
PubChem CID95797648
Molecular FormulaC19H23N5O4S
Molecular Weight417.49 g/mol
Exact Mass417.15
IUPAC Name[(3R)-3-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(5-propylfuran-2-yl)methanone
SMILESCCCc1ccc(C(=O)N2CCC[C@@H](c3c(S(C)(=O)=O)cnc4ncnn34)C2)o1
InChIInChI=1S/C19H23N5O4S/c1-3-5-14-7-8-15(28-14)18(25)23-9-4-6-13(11-23)17-16(29(2,26)27)10-20-19-21-12-22-24(17)19/h7-8,10,12-13H,3-6,9,11H2,1-2H3/t13-/m1/s1
InChIKeyUONKXUKLIOCFAI-CYBMUJFWSA-N
XLogP2.09
TPSA110.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-(furan-2-yl)-1-[3-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]propan-1-one
CID 16670424
4-(1H-indol-3-yl)-1-[3-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]butan-1-one
CID 46950422
(5-cyclopropyl-2-methylfuran-3-yl)-[4-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
CID 95797639
[4-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(4-prop-2-enoxyphenyl)methanone
CID 95797642
[4-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 46958948
[(3R)-3-aminopiperidin-1-yl]-(5-ethylfuran-2-yl)methanone
CID 102978338
(5-ethylfuran-2-yl)-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95221622
(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43430927
(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 43428072
furan-2-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
CID 110225724
furan-2-yl-[(3S)-3-(5-methylsulfonyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 95802825
[5-(diethylaminomethyl)furan-2-yl]-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 71896158

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(5-propylfuran-2-yl)methanone?
The IUPAC name of [(3R)-3-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(5-propylfuran-2-yl)methanone (CID 95797648) is [(3R)-3-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(5-propylfuran-2-yl)methanone.
What is the SMILES notation for [(3R)-3-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(5-propylfuran-2-yl)methanone?
The canonical SMILES for [(3R)-3-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(5-propylfuran-2-yl)methanone is CCCc1ccc(C(=O)N2CCC[C@@H](c3c(S(C)(=O)=O)cnc4ncnn34)C2)o1.
What is the InChIKey of [(3R)-3-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(5-propylfuran-2-yl)methanone?
The InChIKey is UONKXUKLIOCFAI-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23N5O4S/c1-3-5-14-7-8-15(28-14)18(25)23-9-4-6-13(11-23)17-16(29(2,26)27)10-20-19-21-12-22-24(17)19/h7-8,10,12-13H,3-6,9,11H2,1-2H3/t13-/m1/s1.
What are the key properties of [(3R)-3-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(5-propylfuran-2-yl)methanone?
[(3R)-3-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(5-propylfuran-2-yl)methanone has a molecular weight of 417.49 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(5-propylfuran-2-yl)methanone is sourced from PubChem (CID 95797648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).