ethyl 4-[[2-[4-ethyl-3-methyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetyl]amino]piperidine-1-carboxylate

C26H33N5O4 — CID 46351039

IUPACethyl 4-[[2-[4-ethyl-3-methyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Cn2c(=O)cc(CC)c3c(C)nn(-c4ccc(C)cc4)c32)CC1
InChIInChI=1S/C26H33N5O4/c1-5-19-15-23(33)30(16-22(32)27-20-11-13-29(14-12-20)26(34)35-6-2)25-24(19)18(4)28-31(25)21-9-7-17(3)8-10-21/h7-10,15,20H,5-6,11-14,16H2,1-4H3,(H,27,32)
InChIKeyXFUDDRNDHKJZOX-UHFFFAOYSA-N
MW479.58 g/mol
LogP3.10
Rot. Bonds6

About ethyl 4-[[2-[4-ethyl-3-methyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-[4-ethyl-3-methyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetyl]amino]piperidine-1-carboxylate (PubChem CID 46351039) has the molecular formula C26H33N5O4 and a molecular weight of 479.58 g/mol. Its IUPAC name is ethyl 4-[[2-[4-ethyl-3-methyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-[4-ethyl-3-methyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetyl]amino]piperidine-1-carboxylate
PubChem CID46351039
Molecular FormulaC26H33N5O4
Molecular Weight479.58 g/mol
Exact Mass479.25
IUPAC Nameethyl 4-[[2-[4-ethyl-3-methyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Cn2c(=O)cc(CC)c3c(C)nn(-c4ccc(C)cc4)c32)CC1
InChIInChI=1S/C26H33N5O4/c1-5-19-15-23(33)30(16-22(32)27-20-11-13-29(14-12-20)26(34)35-6-2)25-24(19)18(4)28-31(25)21-9-7-17(3)8-10-21/h7-10,15,20H,5-6,11-14,16H2,1-4H3,(H,27,32)
InChIKeyXFUDDRNDHKJZOX-UHFFFAOYSA-N
XLogP3.10
TPSA98.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[[2-[4-ethyl-3-methyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetyl]amino]piperidine-1-carboxylate 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-[4-ethyl-3-methyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(2-methoxyphenyl)acetamide
CID 22575831
4-ethyl-7-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-one
CID 22575842
ethyl 4-[3-(4-methylphenyl)propanoylamino]piperidine-1-carboxylate
CID 24554705
N-cyclohexyl-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide
CID 20944219
ethyl 4-[[2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetyl]amino]piperidine-1-carboxylate
CID 50799262
ethyl 4-[2-(4-methylphenyl)ethylcarbamoylamino]piperidine-1-carboxylate
CID 108891194
3-methyl-1-(4-methylphenyl)-7-(2-oxo-2-piperidin-1-ylethyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-one
CID 46339101
ethyl 4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carbonyl]amino]piperidine-1-carboxylate
CID 7708936
ethyl 4-[[2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]acetyl]amino]piperidine-1-carboxylate
CID 71802597
ethyl 4-[[2-(5-chloro-1,3-dioxoisoindol-2-yl)acetyl]amino]piperidine-1-carboxylate
CID 113201492
ethyl 4-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]piperidine-1-carboxylate
CID 23794461
ethyl 4-[[2-(4-propan-2-ylphenyl)acetyl]amino]piperidine-1-carboxylate
CID 110766816

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[4-ethyl-3-methyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-[4-ethyl-3-methyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetyl]amino]piperidine-1-carboxylate (CID 46351039) is ethyl 4-[[2-[4-ethyl-3-methyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-[4-ethyl-3-methyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-[4-ethyl-3-methyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)Cn2c(=O)cc(CC)c3c(C)nn(-c4ccc(C)cc4)c32)CC1.
What is the InChIKey of ethyl 4-[[2-[4-ethyl-3-methyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetyl]amino]piperidine-1-carboxylate?
The InChIKey is XFUDDRNDHKJZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O4/c1-5-19-15-23(33)30(16-22(32)27-20-11-13-29(14-12-20)26(34)35-6-2)25-24(19)18(4)28-31(25)21-9-7-17(3)8-10-21/h7-10,15,20H,5-6,11-14,16H2,1-4H3,(H,27,32).
What are the key properties of ethyl 4-[[2-[4-ethyl-3-methyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-[4-ethyl-3-methyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetyl]amino]piperidine-1-carboxylate has a molecular weight of 479.58 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[4-ethyl-3-methyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 46351039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).