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

C14H19N5O — CID 135943559

IUPAC6-[(1-ethylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCn1cc(CN2CCc3nc(C)[nH]c(=O)c3C2)cn1
InChIInChI=1S/C14H19N5O/c1-3-19-8-11(6-15-19)7-18-5-4-13-12(9-18)14(20)17-10(2)16-13/h6,8H,3-5,7,9H2,1-2H3,(H,16,17,20)
InChIKeyGOBHXCZHEMPQCA-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.85
Rot. Bonds3

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

6-[(1-ethylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135943559) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 6-[(1-ethylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(1-ethylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135943559
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name6-[(1-ethylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCn1cc(CN2CCc3nc(C)[nH]c(=O)c3C2)cn1
InChIInChI=1S/C14H19N5O/c1-3-19-8-11(6-15-19)7-18-5-4-13-12(9-18)14(20)17-10(2)16-13/h6,8H,3-5,7,9H2,1-2H3,(H,16,17,20)
InChIKeyGOBHXCZHEMPQCA-UHFFFAOYSA-N
XLogP0.85
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-ethylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[(1-ethylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135943559) is 6-[(1-ethylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(1-ethylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[(1-ethylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CCn1cc(CN2CCc3nc(C)[nH]c(=O)c3C2)cn1.
What is the InChIKey of 6-[(1-ethylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is GOBHXCZHEMPQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-3-19-8-11(6-15-19)7-18-5-4-13-12(9-18)14(20)17-10(2)16-13/h6,8H,3-5,7,9H2,1-2H3,(H,16,17,20).
What are the key properties of 6-[(1-ethylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[(1-ethylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 273.34 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-ethylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135943559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).