ethyl 1-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-4-carboxylate

C21H23N5O3 — CID 134798634

IUPACethyl 1-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc(-c3cccnc3)nc3c2cnn3C)CC1
InChIInChI=1S/C21H23N5O3/c1-3-29-21(28)14-6-9-26(10-7-14)20(27)16-11-18(15-5-4-8-22-12-15)24-19-17(16)13-23-25(19)2/h4-5,8,11-14H,3,6-7,9-10H2,1-2H3
InChIKeyCHJWWODUVGCHCD-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.45
Rot. Bonds4

About ethyl 1-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-4-carboxylate

ethyl 1-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-4-carboxylate (PubChem CID 134798634) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is ethyl 1-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-4-carboxylate
PubChem CID134798634
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Nameethyl 1-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc(-c3cccnc3)nc3c2cnn3C)CC1
InChIInChI=1S/C21H23N5O3/c1-3-29-21(28)14-6-9-26(10-7-14)20(27)16-11-18(15-5-4-8-22-12-15)24-19-17(16)13-23-25(19)2/h4-5,8,11-14H,3,6-7,9-10H2,1-2H3
InChIKeyCHJWWODUVGCHCD-UHFFFAOYSA-N
XLogP2.45
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 1-(pyridine-3-carbonyl)piperidine-4-carboxylate
CID 2303084
[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 44821575
ethyl 1-[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxylate
CID 26022213
ethyl 1-(1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)piperidine-4-carboxylate
CID 7619301
(4-benzylpiperidin-1-yl)-[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 44821564
[6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone
CID 134801381
1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-4-carboxamide
CID 32978575
ethyl 1-[2-(4-acetamidophenyl)quinoline-4-carbonyl]piperidine-4-carboxylate
CID 46375305
ethyl 1-(3-methoxypyridine-4-carbonyl)piperidine-4-carboxylate
CID 105064219
1-propyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 60985297
[4-(1-aminoethyl)piperidin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 119519440
(4-aminopiperidin-1-yl)-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride
CID 119373427

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-4-carboxylate (CID 134798634) is ethyl 1-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2cc(-c3cccnc3)nc3c2cnn3C)CC1.
What is the InChIKey of ethyl 1-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-4-carboxylate?
The InChIKey is CHJWWODUVGCHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-3-29-21(28)14-6-9-26(10-7-14)20(27)16-11-18(15-5-4-8-22-12-15)24-19-17(16)13-23-25(19)2/h4-5,8,11-14H,3,6-7,9-10H2,1-2H3.
What are the key properties of ethyl 1-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-4-carboxylate?
ethyl 1-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-4-carboxylate has a molecular weight of 393.45 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 134798634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).