4-(1H-indazol-5-yl)-6-(4-piperazin-1-ylphenyl)-1H-pyrimidin-2-one

C21H20N6O — CID 24759685

IUPAC4-(1H-indazol-5-yl)-6-(4-piperazin-1-ylphenyl)-1H-pyrimidin-2-one
SMILESO=c1nc(-c2ccc3[nH]ncc3c2)cc(-c2ccc(N3CCNCC3)cc2)[nH]1
InChIInChI=1S/C21H20N6O/c28-21-24-19(14-1-4-17(5-2-14)27-9-7-22-8-10-27)12-20(25-21)15-3-6-18-16(11-15)13-23-26-18/h1-6,11-13,22H,7-10H2,(H,23,26)(H,24,25,28)
InChIKeyDIRGEJUTJGRJNW-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.39
Rot. Bonds3

About 4-(1H-indazol-5-yl)-6-(4-piperazin-1-ylphenyl)-1H-pyrimidin-2-one

4-(1H-indazol-5-yl)-6-(4-piperazin-1-ylphenyl)-1H-pyrimidin-2-one (PubChem CID 24759685) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 4-(1H-indazol-5-yl)-6-(4-piperazin-1-ylphenyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(1H-indazol-5-yl)-6-(4-piperazin-1-ylphenyl)-1H-pyrimidin-2-one
PubChem CID24759685
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name4-(1H-indazol-5-yl)-6-(4-piperazin-1-ylphenyl)-1H-pyrimidin-2-one
SMILESO=c1nc(-c2ccc3[nH]ncc3c2)cc(-c2ccc(N3CCNCC3)cc2)[nH]1
InChIInChI=1S/C21H20N6O/c28-21-24-19(14-1-4-17(5-2-14)27-9-7-22-8-10-27)12-20(25-21)15-3-6-18-16(11-15)13-23-26-18/h1-6,11-13,22H,7-10H2,(H,23,26)(H,24,25,28)
InChIKeyDIRGEJUTJGRJNW-UHFFFAOYSA-N
XLogP2.39
TPSA89.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(1H-indazol-5-yl)-6-(4-piperazin-1-ylphenyl)-1H-pyrimidin-2-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 4-(1H-indazol-5-yl)-6-(4-piperazin-1-ylphenyl)-1H-pyrimidin-2-one?
The IUPAC name of 4-(1H-indazol-5-yl)-6-(4-piperazin-1-ylphenyl)-1H-pyrimidin-2-one (CID 24759685) is 4-(1H-indazol-5-yl)-6-(4-piperazin-1-ylphenyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(1H-indazol-5-yl)-6-(4-piperazin-1-ylphenyl)-1H-pyrimidin-2-one?
The canonical SMILES for 4-(1H-indazol-5-yl)-6-(4-piperazin-1-ylphenyl)-1H-pyrimidin-2-one is O=c1nc(-c2ccc3[nH]ncc3c2)cc(-c2ccc(N3CCNCC3)cc2)[nH]1.
What is the InChIKey of 4-(1H-indazol-5-yl)-6-(4-piperazin-1-ylphenyl)-1H-pyrimidin-2-one?
The InChIKey is DIRGEJUTJGRJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c28-21-24-19(14-1-4-17(5-2-14)27-9-7-22-8-10-27)12-20(25-21)15-3-6-18-16(11-15)13-23-26-18/h1-6,11-13,22H,7-10H2,(H,23,26)(H,24,25,28).
What are the key properties of 4-(1H-indazol-5-yl)-6-(4-piperazin-1-ylphenyl)-1H-pyrimidin-2-one?
4-(1H-indazol-5-yl)-6-(4-piperazin-1-ylphenyl)-1H-pyrimidin-2-one has a molecular weight of 372.43 g/mol, XLogP of 2.39, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indazol-5-yl)-6-(4-piperazin-1-ylphenyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 24759685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).