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

C24H26N4O4 — CID 55495256

IUPAC[2-(cyclohexanecarbonylamino)-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCn1ncc2c(C(=O)OCC(=O)NC(=O)C3CCCCC3)cc(-c3ccccc3)nc21
InChIInChI=1S/C24H26N4O4/c1-2-28-22-19(14-25-28)18(13-20(26-22)16-9-5-3-6-10-16)24(31)32-15-21(29)27-23(30)17-11-7-4-8-12-17/h3,5-6,9-10,13-14,17H,2,4,7-8,11-12,15H2,1H3,(H,27,29,30)
InChIKeyGUZVUNNAAUEHGF-UHFFFAOYSA-N
MW434.50 g/mol
LogP3.50
Rot. Bonds6

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

[2-(cyclohexanecarbonylamino)-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 55495256) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is [2-(cyclohexanecarbonylamino)-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name[2-(cyclohexanecarbonylamino)-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID55495256
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name[2-(cyclohexanecarbonylamino)-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCn1ncc2c(C(=O)OCC(=O)NC(=O)C3CCCCC3)cc(-c3ccccc3)nc21
InChIInChI=1S/C24H26N4O4/c1-2-28-22-19(14-25-28)18(13-20(26-22)16-9-5-3-6-10-16)24(31)32-15-21(29)27-23(30)17-11-7-4-8-12-17/h3,5-6,9-10,13-14,17H,2,4,7-8,11-12,15H2,1H3,(H,27,29,30)
InChIKeyGUZVUNNAAUEHGF-UHFFFAOYSA-N
XLogP3.50
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(cyclohexylamino)-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 55495669
[2-(cyclohexanecarbonylamino)-2-oxoethyl] 2-phenylquinoline-4-carboxylate
CID 55318819
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 26059831
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46693314
[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
(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 51854334
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46693363
1-ethyl-6-phenyl-N-piperidin-1-ylsulfonylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 60565138
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 8980450
(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(3-methylpiperidin-1-yl)methanone
CID 42931045
(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560360

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexanecarbonylamino)-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of [2-(cyclohexanecarbonylamino)-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 55495256) is [2-(cyclohexanecarbonylamino)-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for [2-(cyclohexanecarbonylamino)-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for [2-(cyclohexanecarbonylamino)-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate is CCn1ncc2c(C(=O)OCC(=O)NC(=O)C3CCCCC3)cc(-c3ccccc3)nc21.
What is the InChIKey of [2-(cyclohexanecarbonylamino)-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is GUZVUNNAAUEHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-2-28-22-19(14-25-28)18(13-20(26-22)16-9-5-3-6-10-16)24(31)32-15-21(29)27-23(30)17-11-7-4-8-12-17/h3,5-6,9-10,13-14,17H,2,4,7-8,11-12,15H2,1H3,(H,27,29,30).
What are the key properties of [2-(cyclohexanecarbonylamino)-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?
[2-(cyclohexanecarbonylamino)-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 434.50 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexanecarbonylamino)-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 55495256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).