6-[2-(4-acetyl-2-methylpiperazin-1-yl)pyrimidin-5-yl]-2-methyl-1H-indazol-3-one

C19H22N6O2 — CID 122620398

IUPAC6-[2-(4-acetyl-2-methylpiperazin-1-yl)pyrimidin-5-yl]-2-methyl-1H-indazol-3-one
SMILESCC(=O)N1CCN(c2ncc(-c3ccc4c(=O)n(C)[nH]c4c3)cn2)C(C)C1
InChIInChI=1S/C19H22N6O2/c1-12-11-24(13(2)26)6-7-25(12)19-20-9-15(10-21-19)14-4-5-16-17(8-14)22-23(3)18(16)27/h4-5,8-10,12,22H,6-7,11H2,1-3H3
InChIKeyXWCJHRMXQDTFRI-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.38
Rot. Bonds2

About 6-[2-(4-acetyl-2-methylpiperazin-1-yl)pyrimidin-5-yl]-2-methyl-1H-indazol-3-one

6-[2-(4-acetyl-2-methylpiperazin-1-yl)pyrimidin-5-yl]-2-methyl-1H-indazol-3-one (PubChem CID 122620398) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 6-[2-(4-acetyl-2-methylpiperazin-1-yl)pyrimidin-5-yl]-2-methyl-1H-indazol-3-one.

Molecular Properties

Compound Name6-[2-(4-acetyl-2-methylpiperazin-1-yl)pyrimidin-5-yl]-2-methyl-1H-indazol-3-one
PubChem CID122620398
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name6-[2-(4-acetyl-2-methylpiperazin-1-yl)pyrimidin-5-yl]-2-methyl-1H-indazol-3-one
SMILESCC(=O)N1CCN(c2ncc(-c3ccc4c(=O)n(C)[nH]c4c3)cn2)C(C)C1
InChIInChI=1S/C19H22N6O2/c1-12-11-24(13(2)26)6-7-25(12)19-20-9-15(10-21-19)14-4-5-16-17(8-14)22-23(3)18(16)27/h4-5,8-10,12,22H,6-7,11H2,1-3H3
InChIKeyXWCJHRMXQDTFRI-UHFFFAOYSA-N
XLogP1.38
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

Analyze 6-[2-(4-acetyl-2-methylpiperazin-1-yl)pyrimidin-5-yl]-2-methyl-1H-indazol-3-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

2-methyl-6-[2-[3-methyl-4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperazin-1-yl]pyrimidin-5-yl]-1H-indazol-3-one
CID 122620345
1-[(3R)-4-(5-bromopyrimidin-2-yl)-3-methylpiperazin-1-yl]ethanone
CID 122617208
1-[(3R)-4-(5-tert-butylpyrimidin-2-yl)-3-methylpiperazin-1-yl]ethanone
CID 167420915
(1R)-8-[2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one
CID 122617279
1-[(3S)-3-methyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 99867847
1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-[2-[(2R)-4-(2-hydroxyacetyl)-2-methylpiperazin-1-yl]pyrimidin-5-yl]-2-methylindazol-3-one
CID 159432696
2-[4-(difluoromethoxy)-3-[[6-[2-[4-(2-hydroxyacetyl)-2-methylpiperazin-1-yl]pyrimidin-5-yl]-2-methyl-3-oxoindazol-1-yl]methyl]phenyl]acetonitrile
CID 122620693
1-[(3S)-4-(5-bromopyrimidin-2-yl)-3-methylpiperazin-1-yl]-2-hydroxyethanone
CID 122621174
6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-2-methyl-1-[(4-methyl-1H-pyrrol-3-yl)methyl]indazol-3-one
CID 122629469
6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-2-methyl-1-[(5-methylcyclopenta-1,4-dien-1-yl)methyl]indazol-3-one
CID 159066360
1-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-6-[2-[(2R)-4-(2-hydroxyacetyl)-2-methylpiperazin-1-yl]pyrimidin-5-yl]-2-methylindazol-3-one
CID 122621565
2-(4-acetyl-2-methylpiperazin-1-yl)-4-(2-methylsulfonylanilino)pyrimidine-5-carboxamide
CID 176858343

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-acetyl-2-methylpiperazin-1-yl)pyrimidin-5-yl]-2-methyl-1H-indazol-3-one?
The IUPAC name of 6-[2-(4-acetyl-2-methylpiperazin-1-yl)pyrimidin-5-yl]-2-methyl-1H-indazol-3-one (CID 122620398) is 6-[2-(4-acetyl-2-methylpiperazin-1-yl)pyrimidin-5-yl]-2-methyl-1H-indazol-3-one.
What is the SMILES notation for 6-[2-(4-acetyl-2-methylpiperazin-1-yl)pyrimidin-5-yl]-2-methyl-1H-indazol-3-one?
The canonical SMILES for 6-[2-(4-acetyl-2-methylpiperazin-1-yl)pyrimidin-5-yl]-2-methyl-1H-indazol-3-one is CC(=O)N1CCN(c2ncc(-c3ccc4c(=O)n(C)[nH]c4c3)cn2)C(C)C1.
What is the InChIKey of 6-[2-(4-acetyl-2-methylpiperazin-1-yl)pyrimidin-5-yl]-2-methyl-1H-indazol-3-one?
The InChIKey is XWCJHRMXQDTFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-12-11-24(13(2)26)6-7-25(12)19-20-9-15(10-21-19)14-4-5-16-17(8-14)22-23(3)18(16)27/h4-5,8-10,12,22H,6-7,11H2,1-3H3.
What are the key properties of 6-[2-(4-acetyl-2-methylpiperazin-1-yl)pyrimidin-5-yl]-2-methyl-1H-indazol-3-one?
6-[2-(4-acetyl-2-methylpiperazin-1-yl)pyrimidin-5-yl]-2-methyl-1H-indazol-3-one has a molecular weight of 366.43 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-acetyl-2-methylpiperazin-1-yl)pyrimidin-5-yl]-2-methyl-1H-indazol-3-one is sourced from PubChem (CID 122620398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).