3-amino-1-[3-oxo-3-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]propyl]-6-phenyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one

C29H36N6O2 — CID 56596024

IUPAC3-amino-1-[3-oxo-3-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]propyl]-6-phenyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCc1cc(C)c(CN2CCN(C(=O)CCn3nc(N)c4c3C(=O)N(c3ccccc3)CC4)CC2)c(C)c1
InChIInChI=1S/C29H36N6O2/c1-20-17-21(2)25(22(3)18-20)19-32-13-15-33(16-14-32)26(36)10-12-35-27-24(28(30)31-35)9-11-34(29(27)37)23-7-5-4-6-8-23/h4-8,17-18H,9-16,19H2,1-3H3,(H2,30,31)
InChIKeyGGDWMSWZXZHEGE-UHFFFAOYSA-N
MW500.65 g/mol
LogP3.33
Rot. Bonds6

About 3-amino-1-[3-oxo-3-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]propyl]-6-phenyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one

3-amino-1-[3-oxo-3-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]propyl]-6-phenyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (PubChem CID 56596024) has the molecular formula C29H36N6O2 and a molecular weight of 500.65 g/mol. Its IUPAC name is 3-amino-1-[3-oxo-3-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]propyl]-6-phenyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

Compound Name3-amino-1-[3-oxo-3-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]propyl]-6-phenyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
PubChem CID56596024
Molecular FormulaC29H36N6O2
Molecular Weight500.65 g/mol
Exact Mass500.29
IUPAC Name3-amino-1-[3-oxo-3-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]propyl]-6-phenyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCc1cc(C)c(CN2CCN(C(=O)CCn3nc(N)c4c3C(=O)N(c3ccccc3)CC4)CC2)c(C)c1
InChIInChI=1S/C29H36N6O2/c1-20-17-21(2)25(22(3)18-20)19-32-13-15-33(16-14-32)26(36)10-12-35-27-24(28(30)31-35)9-11-34(29(27)37)23-7-5-4-6-8-23/h4-8,17-18H,9-16,19H2,1-3H3,(H2,30,31)
InChIKeyGGDWMSWZXZHEGE-UHFFFAOYSA-N
XLogP3.33
TPSA87.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.65
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-amino-1-[3-oxo-3-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]propyl]-6-phenyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one with MolForge

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Related Compounds

1-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]butan-1-one
CID 48558797
2-chloro-1-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]ethanone
CID 52916311
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 19331614
ethyl 7-oxo-1,6-diphenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 11566693
2-[3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19492257
methyl 4-[(2,4,6-trimethylphenyl)methyl]piperazine-1-carboxylate
CID 48558731
5-methyl-1-[2-oxo-2-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]ethyl]pyrimidine-2,4-dione
CID 53299297
3-amino-1-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propanoyl]-6-(furan-2-ylmethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
CID 67997008
1-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-4-phenylbutan-1-one
CID 44755829
2-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-5,6-diphenylpyridazin-3-one
CID 139074783
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propan-1-one
CID 19560180
2-[3-[4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 30937984

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-oxo-3-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]propyl]-6-phenyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The IUPAC name of 3-amino-1-[3-oxo-3-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]propyl]-6-phenyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (CID 56596024) is 3-amino-1-[3-oxo-3-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]propyl]-6-phenyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.
What is the SMILES notation for 3-amino-1-[3-oxo-3-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]propyl]-6-phenyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The canonical SMILES for 3-amino-1-[3-oxo-3-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]propyl]-6-phenyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is Cc1cc(C)c(CN2CCN(C(=O)CCn3nc(N)c4c3C(=O)N(c3ccccc3)CC4)CC2)c(C)c1.
What is the InChIKey of 3-amino-1-[3-oxo-3-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]propyl]-6-phenyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The InChIKey is GGDWMSWZXZHEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N6O2/c1-20-17-21(2)25(22(3)18-20)19-32-13-15-33(16-14-32)26(36)10-12-35-27-24(28(30)31-35)9-11-34(29(27)37)23-7-5-4-6-8-23/h4-8,17-18H,9-16,19H2,1-3H3,(H2,30,31).
What are the key properties of 3-amino-1-[3-oxo-3-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]propyl]-6-phenyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
3-amino-1-[3-oxo-3-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]propyl]-6-phenyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one has a molecular weight of 500.65 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-oxo-3-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]propyl]-6-phenyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 56596024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).