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

C15H21N5O — CID 135943519

IUPAC6-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCn1ncc(CN2CCc3nc(C)[nH]c(=O)c3C2)c1C
InChIInChI=1S/C15H21N5O/c1-4-20-10(2)12(7-16-20)8-19-6-5-14-13(9-19)15(21)18-11(3)17-14/h7H,4-6,8-9H2,1-3H3,(H,17,18,21)
InChIKeyHUPQLXRGGZITNI-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.16
Rot. Bonds3

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

6-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135943519) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 6-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135943519
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name6-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCn1ncc(CN2CCc3nc(C)[nH]c(=O)c3C2)c1C
InChIInChI=1S/C15H21N5O/c1-4-20-10(2)12(7-16-20)8-19-6-5-14-13(9-19)15(21)18-11(3)17-14/h7H,4-6,8-9H2,1-3H3,(H,17,18,21)
InChIKeyHUPQLXRGGZITNI-UHFFFAOYSA-N
XLogP1.16
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135943519) is 6-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CCn1ncc(CN2CCc3nc(C)[nH]c(=O)c3C2)c1C.
What is the InChIKey of 6-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is HUPQLXRGGZITNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-4-20-10(2)12(7-16-20)8-19-6-5-14-13(9-19)15(21)18-11(3)17-14/h7H,4-6,8-9H2,1-3H3,(H,17,18,21).
What are the key properties of 6-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 287.37 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135943519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).