furan-2-yl-[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone

C20H20N4O2 — CID 46952266

IUPACfuran-2-yl-[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESCc1ncc(-c2ccncc2)c(C2CCN(C(=O)c3ccco3)CC2)n1
InChIInChI=1S/C20H20N4O2/c1-14-22-13-17(15-4-8-21-9-5-15)19(23-14)16-6-10-24(11-7-16)20(25)18-3-2-12-26-18/h2-5,8-9,12-13,16H,6-7,10-11H2,1H3
InChIKeyLKWFGLDAIFSPNB-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.46
Rot. Bonds3

About furan-2-yl-[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone

furan-2-yl-[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone (PubChem CID 46952266) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is furan-2-yl-[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
PubChem CID46952266
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Namefuran-2-yl-[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESCc1ncc(-c2ccncc2)c(C2CCN(C(=O)c3ccco3)CC2)n1
InChIInChI=1S/C20H20N4O2/c1-14-22-13-17(15-4-8-21-9-5-15)19(23-14)16-6-10-24(11-7-16)20(25)18-3-2-12-26-18/h2-5,8-9,12-13,16H,6-7,10-11H2,1H3
InChIKeyLKWFGLDAIFSPNB-UHFFFAOYSA-N
XLogP3.46
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone (CID 46952266) is furan-2-yl-[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone is Cc1ncc(-c2ccncc2)c(C2CCN(C(=O)c3ccco3)CC2)n1.
What is the InChIKey of furan-2-yl-[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The InChIKey is LKWFGLDAIFSPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-14-22-13-17(15-4-8-21-9-5-15)19(23-14)16-6-10-24(11-7-16)20(25)18-3-2-12-26-18/h2-5,8-9,12-13,16H,6-7,10-11H2,1H3.
What are the key properties of furan-2-yl-[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
furan-2-yl-[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone has a molecular weight of 348.41 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 46952266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).