[2-(cyclohexylamino)-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate

C23H26N4O3 — CID 55495669

IUPAC[2-(cyclohexylamino)-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCn1ncc2c(C(=O)OCC(=O)NC3CCCCC3)cc(-c3ccccc3)nc21
InChIInChI=1S/C23H26N4O3/c1-2-27-22-19(14-24-27)18(13-20(26-22)16-9-5-3-6-10-16)23(29)30-15-21(28)25-17-11-7-4-8-12-17/h3,5-6,9-10,13-14,17H,2,4,7-8,11-12,15H2,1H3,(H,25,28)
InChIKeyFDXHQMDFRDFJOT-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.72
Rot. Bonds6

About [2-(cyclohexylamino)-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate

[2-(cyclohexylamino)-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 55495669) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID55495669
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCn1ncc2c(C(=O)OCC(=O)NC3CCCCC3)cc(-c3ccccc3)nc21
InChIInChI=1S/C23H26N4O3/c1-2-27-22-19(14-24-27)18(13-20(26-22)16-9-5-3-6-10-16)23(29)30-15-21(28)25-17-11-7-4-8-12-17/h3,5-6,9-10,13-14,17H,2,4,7-8,11-12,15H2,1H3,(H,25,28)
InChIKeyFDXHQMDFRDFJOT-UHFFFAOYSA-N
XLogP3.72
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(cyclohexanecarbonylamino)-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 55495256
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46693314
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 26059831
[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 26059999
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 55495564
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46693363
(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560360
(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 51854334
[2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46693506
(4-aminopiperidin-1-yl)-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride
CID 119373427
(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(3-methylpiperidin-1-yl)methanone
CID 42931045
(2-chloro-3-methoxycarbonylphenyl)methyl 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 166337429

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 55495669) is [2-(cyclohexylamino)-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate is CCn1ncc2c(C(=O)OCC(=O)NC3CCCCC3)cc(-c3ccccc3)nc21.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is FDXHQMDFRDFJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-2-27-22-19(14-24-27)18(13-20(26-22)16-9-5-3-6-10-16)23(29)30-15-21(28)25-17-11-7-4-8-12-17/h3,5-6,9-10,13-14,17H,2,4,7-8,11-12,15H2,1H3,(H,25,28).
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?
[2-(cyclohexylamino)-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 406.49 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 55495669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).