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

C20H23N5O4S — CID 95797639

IUPAC(5-cyclopropyl-2-methylfuran-3-yl)-[4-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
SMILESCc1oc(C2CC2)cc1C(=O)N1CCC(c2c(S(C)(=O)=O)cnc3ncnn23)CC1
InChIInChI=1S/C20H23N5O4S/c1-12-15(9-16(29-12)13-3-4-13)19(26)24-7-5-14(6-8-24)18-17(30(2,27)28)10-21-20-22-11-23-25(18)20/h9-11,13-14H,3-8H2,1-2H3
InChIKeyWKQGGEBFXDRCHB-UHFFFAOYSA-N
MW429.50 g/mol
LogP2.33
Rot. Bonds4

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

(5-cyclopropyl-2-methylfuran-3-yl)-[4-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (PubChem CID 95797639) has the molecular formula C20H23N5O4S and a molecular weight of 429.50 g/mol. Its IUPAC name is (5-cyclopropyl-2-methylfuran-3-yl)-[4-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-2-methylfuran-3-yl)-[4-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
PubChem CID95797639
Molecular FormulaC20H23N5O4S
Molecular Weight429.50 g/mol
Exact Mass429.15
IUPAC Name(5-cyclopropyl-2-methylfuran-3-yl)-[4-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
SMILESCc1oc(C2CC2)cc1C(=O)N1CCC(c2c(S(C)(=O)=O)cnc3ncnn23)CC1
InChIInChI=1S/C20H23N5O4S/c1-12-15(9-16(29-12)13-3-4-13)19(26)24-7-5-14(6-8-24)18-17(30(2,27)28)10-21-20-22-11-23-25(18)20/h9-11,13-14H,3-8H2,1-2H3
InChIKeyWKQGGEBFXDRCHB-UHFFFAOYSA-N
XLogP2.33
TPSA110.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (5-cyclopropyl-2-methylfuran-3-yl)-[4-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

furan-2-yl-[4-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
CID 16670400
[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
[4-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(4-prop-2-enoxyphenyl)methanone
CID 95797642
[(3R)-3-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(5-propylfuran-2-yl)methanone
CID 95797648
7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 84672120
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
1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-4-carboxylic acid
CID 43354172
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-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]methanone
CID 110220112
(3,4-dihydroxypyrrolidin-1-yl)-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanone
CID 106671720
(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62370595
(2,5-dimethylfuran-3-yl)-[3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]methanone
CID 126853668

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-2-methylfuran-3-yl)-[4-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The IUPAC name of (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) is (5-cyclopropyl-2-methylfuran-3-yl)-[4-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-2-methylfuran-3-yl)-[4-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-2-methylfuran-3-yl)-[4-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is Cc1oc(C2CC2)cc1C(=O)N1CCC(c2c(S(C)(=O)=O)cnc3ncnn23)CC1.
What is the InChIKey of (5-cyclopropyl-2-methylfuran-3-yl)-[4-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The InChIKey is WKQGGEBFXDRCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4S/c1-12-15(9-16(29-12)13-3-4-13)19(26)24-7-5-14(6-8-24)18-17(30(2,27)28)10-21-20-22-11-23-25(18)20/h9-11,13-14H,3-8H2,1-2H3.
What are the key properties of (5-cyclopropyl-2-methylfuran-3-yl)-[4-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
(5-cyclopropyl-2-methylfuran-3-yl)-[4-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone has a molecular weight of 429.50 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-2-methylfuran-3-yl)-[4-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95797639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).