6-(1-cyclohexylpyrazole-3-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C17H21N5O2 — CID 137193849

IUPAC6-(1-cyclohexylpyrazole-3-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=C(c1ccn(C2CCCCC2)n1)N1CCc2nc[nH]c(=O)c2C1
InChIInChI=1S/C17H21N5O2/c23-16-13-10-21(8-6-14(13)18-11-19-16)17(24)15-7-9-22(20-15)12-4-2-1-3-5-12/h7,9,11-12H,1-6,8,10H2,(H,18,19,23)
InChIKeyRPLMKDBMBHTHPH-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.67
Rot. Bonds2

About 6-(1-cyclohexylpyrazole-3-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-(1-cyclohexylpyrazole-3-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 137193849) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 6-(1-cyclohexylpyrazole-3-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(1-cyclohexylpyrazole-3-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID137193849
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name6-(1-cyclohexylpyrazole-3-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=C(c1ccn(C2CCCCC2)n1)N1CCc2nc[nH]c(=O)c2C1
InChIInChI=1S/C17H21N5O2/c23-16-13-10-21(8-6-14(13)18-11-19-16)17(24)15-7-9-22(20-15)12-4-2-1-3-5-12/h7,9,11-12H,1-6,8,10H2,(H,18,19,23)
InChIKeyRPLMKDBMBHTHPH-UHFFFAOYSA-N
XLogP1.67
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(1-cyclohexylpyrazole-3-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclohexylpyrazole-3-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-(1-cyclohexylpyrazole-3-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 137193849) is 6-(1-cyclohexylpyrazole-3-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-(1-cyclohexylpyrazole-3-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-(1-cyclohexylpyrazole-3-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=C(c1ccn(C2CCCCC2)n1)N1CCc2nc[nH]c(=O)c2C1.
What is the InChIKey of 6-(1-cyclohexylpyrazole-3-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is RPLMKDBMBHTHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c23-16-13-10-21(8-6-14(13)18-11-19-16)17(24)15-7-9-22(20-15)12-4-2-1-3-5-12/h7,9,11-12H,1-6,8,10H2,(H,18,19,23).
What are the key properties of 6-(1-cyclohexylpyrazole-3-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-(1-cyclohexylpyrazole-3-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 327.39 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclohexylpyrazole-3-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 137193849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).