3,4,7-trimethyl-1-(4-methylphenyl)-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-6-one

C29H33N5O2 — CID 20961446

IUPAC3,4,7-trimethyl-1-(4-methylphenyl)-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-6-one
SMILESCc1ccc(-n2nc(C)c3c(C)c(CCC(=O)N4CCN(c5ccccc5)CC4)c(=O)n(C)c32)cc1
InChIInChI=1S/C29H33N5O2/c1-20-10-12-24(13-11-20)34-28-27(22(3)30-34)21(2)25(29(36)31(28)4)14-15-26(35)33-18-16-32(17-19-33)23-8-6-5-7-9-23/h5-13H,14-19H2,1-4H3
InChIKeyWVXCPMOVPRNMOM-UHFFFAOYSA-N
MW483.62 g/mol
LogP3.93
Rot. Bonds5

About 3,4,7-trimethyl-1-(4-methylphenyl)-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-6-one

3,4,7-trimethyl-1-(4-methylphenyl)-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-6-one (PubChem CID 20961446) has the molecular formula C29H33N5O2 and a molecular weight of 483.62 g/mol. Its IUPAC name is 3,4,7-trimethyl-1-(4-methylphenyl)-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name3,4,7-trimethyl-1-(4-methylphenyl)-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-6-one
PubChem CID20961446
Molecular FormulaC29H33N5O2
Molecular Weight483.62 g/mol
Exact Mass483.26
IUPAC Name3,4,7-trimethyl-1-(4-methylphenyl)-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-6-one
SMILESCc1ccc(-n2nc(C)c3c(C)c(CCC(=O)N4CCN(c5ccccc5)CC4)c(=O)n(C)c32)cc1
InChIInChI=1S/C29H33N5O2/c1-20-10-12-24(13-11-20)34-28-27(22(3)30-34)21(2)25(29(36)31(28)4)14-15-26(35)33-18-16-32(17-19-33)23-8-6-5-7-9-23/h5-13H,14-19H2,1-4H3
InChIKeyWVXCPMOVPRNMOM-UHFFFAOYSA-N
XLogP3.93
TPSA63.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.62
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-3-[3,4,7-trimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide
CID 20961435
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one
CID 20863650
3-[1-(3-fluorophenyl)-3,4,7-trimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanoic acid
CID 20854873
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one
CID 9255518
N-(3,4,5-trimethoxyphenyl)-3-(3,4,7-trimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 20961514
1-piperidin-1-yl-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one
CID 23602926
1-[4-(3-methylphenyl)piperazin-1-yl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one
CID 24615818
5-methyl-3-(4-methylphenyl)-1-(4-phenylpiperazine-1-carbonyl)pyridazino[4,5-b]indol-4-one
CID 20856106
2-[3,5-dimethyl-4-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 135885880
1-(4-ethylpiperazin-1-yl)-3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one
CID 50796325
3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 9032613
5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-1-phenylpyrazolo[4,5-c]pyridin-4-one
CID 50839654

Frequently Asked Questions

What is the IUPAC name of 3,4,7-trimethyl-1-(4-methylphenyl)-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 3,4,7-trimethyl-1-(4-methylphenyl)-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-6-one (CID 20961446) is 3,4,7-trimethyl-1-(4-methylphenyl)-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 3,4,7-trimethyl-1-(4-methylphenyl)-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 3,4,7-trimethyl-1-(4-methylphenyl)-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-6-one is Cc1ccc(-n2nc(C)c3c(C)c(CCC(=O)N4CCN(c5ccccc5)CC4)c(=O)n(C)c32)cc1.
What is the InChIKey of 3,4,7-trimethyl-1-(4-methylphenyl)-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is WVXCPMOVPRNMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O2/c1-20-10-12-24(13-11-20)34-28-27(22(3)30-34)21(2)25(29(36)31(28)4)14-15-26(35)33-18-16-32(17-19-33)23-8-6-5-7-9-23/h5-13H,14-19H2,1-4H3.
What are the key properties of 3,4,7-trimethyl-1-(4-methylphenyl)-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-6-one?
3,4,7-trimethyl-1-(4-methylphenyl)-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 483.62 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,7-trimethyl-1-(4-methylphenyl)-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 20961446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).