ethyl 4-[[2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetyl]amino]piperidine-1-carboxylate

C24H29N5O4 — CID 50799262

IUPACethyl 4-[[2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)COc2cc(C)c3c(C)nn(-c4ccccc4)c3n2)CC1
InChIInChI=1S/C24H29N5O4/c1-4-32-24(31)28-12-10-18(11-13-28)25-20(30)15-33-21-14-16(2)22-17(3)27-29(23(22)26-21)19-8-6-5-7-9-19/h5-9,14,18H,4,10-13,15H2,1-3H3,(H,25,30)
InChIKeyQDLCWGLKFADHCN-UHFFFAOYSA-N
MW451.53 g/mol
LogP3.15
Rot. Bonds6

About ethyl 4-[[2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetyl]amino]piperidine-1-carboxylate (PubChem CID 50799262) has the molecular formula C24H29N5O4 and a molecular weight of 451.53 g/mol. Its IUPAC name is ethyl 4-[[2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetyl]amino]piperidine-1-carboxylate
PubChem CID50799262
Molecular FormulaC24H29N5O4
Molecular Weight451.53 g/mol
Exact Mass451.22
IUPAC Nameethyl 4-[[2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)COc2cc(C)c3c(C)nn(-c4ccccc4)c3n2)CC1
InChIInChI=1S/C24H29N5O4/c1-4-32-24(31)28-12-10-18(11-13-28)25-20(30)15-33-21-14-16(2)22-17(3)27-29(23(22)26-21)19-8-6-5-7-9-19/h5-9,14,18H,4,10-13,15H2,1-3H3,(H,25,30)
InChIKeyQDLCWGLKFADHCN-UHFFFAOYSA-N
XLogP3.15
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[[2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(2-ethoxyphenyl)acetamide
CID 50799165
2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(1-phenylethyl)acetamide
CID 50799077
2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 50799148
ethyl 4-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]piperidine-1-carboxylate
CID 46636610
[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl] 1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 46681221
ethyl 4-[[2-(4-phenylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 4009402
ethyl 4-[(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 6623485
ethyl 4-[[2-(3-ethoxyphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 112977740
N-(2,6-dimethylphenyl)-2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetamide
CID 50799072
N-cyclohexyl-3-(6-ethoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 50796215
2-(2-methylphenoxy)-N-(1-phenylpiperidin-4-yl)acetamide
CID 110735883
N-(4-chlorophenyl)-2-[3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791739

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetyl]amino]piperidine-1-carboxylate (CID 50799262) is ethyl 4-[[2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)COc2cc(C)c3c(C)nn(-c4ccccc4)c3n2)CC1.
What is the InChIKey of ethyl 4-[[2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetyl]amino]piperidine-1-carboxylate?
The InChIKey is QDLCWGLKFADHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4/c1-4-32-24(31)28-12-10-18(11-13-28)25-20(30)15-33-21-14-16(2)22-17(3)27-29(23(22)26-21)19-8-6-5-7-9-19/h5-9,14,18H,4,10-13,15H2,1-3H3,(H,25,30).
What are the key properties of ethyl 4-[[2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetyl]amino]piperidine-1-carboxylate has a molecular weight of 451.53 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 50799262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).