7-[(5-methylfuran-2-yl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C19H26N4O2 — CID 136680768

IUPAC7-[(5-methylfuran-2-yl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCc1ccc(CN2CCc3c(nc(N4CCC(C)CC4)[nH]c3=O)C2)o1
InChIInChI=1S/C19H26N4O2/c1-13-5-9-23(10-6-13)19-20-17-12-22(8-7-16(17)18(24)21-19)11-15-4-3-14(2)25-15/h3-4,13H,5-12H2,1-2H3,(H,20,21,24)
InChIKeyXJEDIQYVOXVMJV-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.47
Rot. Bonds3

About 7-[(5-methylfuran-2-yl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-[(5-methylfuran-2-yl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136680768) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 7-[(5-methylfuran-2-yl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[(5-methylfuran-2-yl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136680768
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name7-[(5-methylfuran-2-yl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCc1ccc(CN2CCc3c(nc(N4CCC(C)CC4)[nH]c3=O)C2)o1
InChIInChI=1S/C19H26N4O2/c1-13-5-9-23(10-6-13)19-20-17-12-22(8-7-16(17)18(24)21-19)11-15-4-3-14(2)25-15/h3-4,13H,5-12H2,1-2H3,(H,20,21,24)
InChIKeyXJEDIQYVOXVMJV-UHFFFAOYSA-N
XLogP2.47
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(5-methylfuran-2-yl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-[(5-methylfuran-2-yl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136680768) is 7-[(5-methylfuran-2-yl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-[(5-methylfuran-2-yl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-[(5-methylfuran-2-yl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is Cc1ccc(CN2CCc3c(nc(N4CCC(C)CC4)[nH]c3=O)C2)o1.
What is the InChIKey of 7-[(5-methylfuran-2-yl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is XJEDIQYVOXVMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13-5-9-23(10-6-13)19-20-17-12-22(8-7-16(17)18(24)21-19)11-15-4-3-14(2)25-15/h3-4,13H,5-12H2,1-2H3,(H,20,21,24).
What are the key properties of 7-[(5-methylfuran-2-yl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-[(5-methylfuran-2-yl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 342.44 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-methylfuran-2-yl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136680768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).