1-piperidin-1-yl-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one

C23H28N4O — CID 23602926

IUPAC1-piperidin-1-yl-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one
SMILESCc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)N1CCCCC1
InChIInChI=1S/C23H28N4O/c1-16-20(12-13-21(28)26-14-8-5-9-15-26)17(2)24-23-22(16)18(3)25-27(23)19-10-6-4-7-11-19/h4,6-7,10-11H,5,8-9,12-15H2,1-3H3
InChIKeyVESAFDDCZVRBEF-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.29
Rot. Bonds4

About 1-piperidin-1-yl-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one

1-piperidin-1-yl-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one (PubChem CID 23602926) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-piperidin-1-yl-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one.

Molecular Properties

Compound Name1-piperidin-1-yl-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one
PubChem CID23602926
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name1-piperidin-1-yl-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one
SMILESCc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)N1CCCCC1
InChIInChI=1S/C23H28N4O/c1-16-20(12-13-21(28)26-14-8-5-9-15-26)17(2)24-23-22(16)18(3)25-27(23)19-10-6-4-7-11-19/h4,6-7,10-11H,5,8-9,12-15H2,1-3H3
InChIKeyVESAFDDCZVRBEF-UHFFFAOYSA-N
XLogP4.29
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
1-(4-ethylpiperazin-1-yl)-3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one
CID 50796325
ethyl 1-[3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanoyl]piperidine-4-carboxylate
CID 23603484
3-(6-ethoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 50796191
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]propan-1-one
CID 23603944
N-(4-chlorophenyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 23602910
N-(2,2-dimethoxyethyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 46261829
1-[4-(3-methylphenyl)piperazin-1-yl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one
CID 24615818
3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 20863716
azepan-1-yl-(3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 20927958
N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 20863654
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 17482492

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one?
The IUPAC name of 1-piperidin-1-yl-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one (CID 23602926) is 1-piperidin-1-yl-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one.
What is the SMILES notation for 1-piperidin-1-yl-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one?
The canonical SMILES for 1-piperidin-1-yl-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one is Cc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one?
The InChIKey is VESAFDDCZVRBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-16-20(12-13-21(28)26-14-8-5-9-15-26)17(2)24-23-22(16)18(3)25-27(23)19-10-6-4-7-11-19/h4,6-7,10-11H,5,8-9,12-15H2,1-3H3.
What are the key properties of 1-piperidin-1-yl-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one?
1-piperidin-1-yl-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one has a molecular weight of 376.50 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one is sourced from PubChem (CID 23602926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).