ethyl 1-[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxylate

C24H30N4O3S — CID 26022213

IUPACethyl 1-[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc(-c3cc(C)sc3C)nc3c2cnn3C(C)C)CC1
InChIInChI=1S/C24H30N4O3S/c1-6-31-24(30)17-7-9-27(10-8-17)23(29)19-12-21(18-11-15(4)32-16(18)5)26-22-20(19)13-25-28(22)14(2)3/h11-14,17H,6-10H2,1-5H3
InChIKeyJWURBFDYUIZVEL-UHFFFAOYSA-N
MW454.60 g/mol
LogP4.77
Rot. Bonds5

About ethyl 1-[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxylate

ethyl 1-[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxylate (PubChem CID 26022213) has the molecular formula C24H30N4O3S and a molecular weight of 454.60 g/mol. Its IUPAC name is ethyl 1-[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxylate
PubChem CID26022213
Molecular FormulaC24H30N4O3S
Molecular Weight454.60 g/mol
Exact Mass454.20
IUPAC Nameethyl 1-[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc(-c3cc(C)sc3C)nc3c2cnn3C(C)C)CC1
InChIInChI=1S/C24H30N4O3S/c1-6-31-24(30)17-7-9-27(10-8-17)23(29)19-12-21(18-11-15(4)32-16(18)5)26-22-20(19)13-25-28(22)14(2)3/h11-14,17H,6-10H2,1-5H3
InChIKeyJWURBFDYUIZVEL-UHFFFAOYSA-N
XLogP4.77
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.60
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxylate (CID 26022213) is ethyl 1-[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2cc(-c3cc(C)sc3C)nc3c2cnn3C(C)C)CC1.
What is the InChIKey of ethyl 1-[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxylate?
The InChIKey is JWURBFDYUIZVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3S/c1-6-31-24(30)17-7-9-27(10-8-17)23(29)19-12-21(18-11-15(4)32-16(18)5)26-22-20(19)13-25-28(22)14(2)3/h11-14,17H,6-10H2,1-5H3.
What are the key properties of ethyl 1-[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxylate?
ethyl 1-[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxylate has a molecular weight of 454.60 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 26022213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).