4-methyl-5-piperidin-4-yl-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-one

C17H19N5O — CID 82271352

IUPAC4-methyl-5-piperidin-4-yl-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-one
SMILESCn1c(C2CCNCC2)cc(=O)n2nc(-c3cccnc3)cc12
InChIInChI=1S/C17H19N5O/c1-21-15(12-4-7-18-8-5-12)10-17(23)22-16(21)9-14(20-22)13-3-2-6-19-11-13/h2-3,6,9-12,18H,4-5,7-8H2,1H3
InChIKeyNKVDHRLAUXNYMM-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.56
Rot. Bonds2

About 4-methyl-5-piperidin-4-yl-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-one

4-methyl-5-piperidin-4-yl-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 82271352) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-methyl-5-piperidin-4-yl-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name4-methyl-5-piperidin-4-yl-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-one
PubChem CID82271352
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name4-methyl-5-piperidin-4-yl-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-one
SMILESCn1c(C2CCNCC2)cc(=O)n2nc(-c3cccnc3)cc12
InChIInChI=1S/C17H19N5O/c1-21-15(12-4-7-18-8-5-12)10-17(23)22-16(21)9-14(20-22)13-3-2-6-19-11-13/h2-3,6,9-12,18H,4-5,7-8H2,1H3
InChIKeyNKVDHRLAUXNYMM-UHFFFAOYSA-N
XLogP1.56
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 4-methyl-5-piperidin-4-yl-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-one with MolForge

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

Launch Full Analysis

Related Compounds

4-methyl-2-(4-methylphenyl)-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 82271379
4-ethyl-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 10243363
2-(3-methylphenyl)-7-piperidin-4-ylpyrazolo[1,5-a]pyrimidine
CID 110244538
3-methyl-6-[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1H-pyrimidine-2,4-dione
CID 126913144
8-methyl-6-pyridin-3-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 117063091
2,4-dimethyl-5-pyridin-3-yl-1,2,4-triazol-3-one
CID 126953697
2-pyridin-3-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 177343859
3-piperidin-4-ylpyridine;dihydrochloride
CID 21192973
S-[1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168705858
N-piperidin-4-yl-2-propan-2-yl-6-pyridin-3-ylpyrimidin-4-amine
CID 56767060
3-[3-(1-hydroxy-4-piperidin-4-ylpyrazol-5-yl)phenyl]pyridine
CID 168886592
2-methyl-5-pyridin-3-yl-1,2-oxazol-3-one
CID 10725945

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-piperidin-4-yl-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 4-methyl-5-piperidin-4-yl-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-one (CID 82271352) is 4-methyl-5-piperidin-4-yl-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 4-methyl-5-piperidin-4-yl-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 4-methyl-5-piperidin-4-yl-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-one is Cn1c(C2CCNCC2)cc(=O)n2nc(-c3cccnc3)cc12.
What is the InChIKey of 4-methyl-5-piperidin-4-yl-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is NKVDHRLAUXNYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-21-15(12-4-7-18-8-5-12)10-17(23)22-16(21)9-14(20-22)13-3-2-6-19-11-13/h2-3,6,9-12,18H,4-5,7-8H2,1H3.
What are the key properties of 4-methyl-5-piperidin-4-yl-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-one?
4-methyl-5-piperidin-4-yl-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 309.37 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-piperidin-4-yl-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 82271352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).