ethyl 4-(4-hydroxypiperidin-1-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate

C21H24N4O3 — CID 126743223

IUPACethyl 4-(4-hydroxypiperidin-1-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc(N2CCC(O)CC2)c2c(C)nn(-c3ccccc3)c2n1
InChIInChI=1S/C21H24N4O3/c1-3-28-21(27)17-13-18(24-11-9-16(26)10-12-24)19-14(2)23-25(20(19)22-17)15-7-5-4-6-8-15/h4-8,13,16,26H,3,9-12H2,1-2H3
InChIKeyURSXPRGXHGXHNI-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.87
Rot. Bonds4

About ethyl 4-(4-hydroxypiperidin-1-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate

ethyl 4-(4-hydroxypiperidin-1-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate (PubChem CID 126743223) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is ethyl 4-(4-hydroxypiperidin-1-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-hydroxypiperidin-1-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate
PubChem CID126743223
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Nameethyl 4-(4-hydroxypiperidin-1-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc(N2CCC(O)CC2)c2c(C)nn(-c3ccccc3)c2n1
InChIInChI=1S/C21H24N4O3/c1-3-28-21(27)17-13-18(24-11-9-16(26)10-12-24)19-14(2)23-25(20(19)22-17)15-7-5-4-6-8-15/h4-8,13,16,26H,3,9-12H2,1-2H3
InChIKeyURSXPRGXHGXHNI-UHFFFAOYSA-N
XLogP2.87
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-[4-(cyanomethyl)piperazin-1-yl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126743666
ethyl 4-(hydroxymethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126743036
ethyl 3-methyl-4-[4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)phenyl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126742813
ethyl 3-methyl-4-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126742942
ethyl 1-[3-(dimethylamino)phenyl]-4-(4-methoxypiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126741820
methyl 3-cyclobutyl-1-phenyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylate
CID 126741740
2-bromoacetonitrile;ethyl 4-[4-[4-(cyanomethyl)piperazin-1-yl]phenyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate;ethyl 3-methyl-1-phenyl-4-(4-piperidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylate
CID 158640850
methyl 4-chloro-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126743206
methyl 3-cyclobutyl-1-phenyl-4-piperidin-1-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126741500
ethyl 4-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-methyl-1-phenyl-2,3-dihydropyrazolo[3,4-b]pyridine-6-carboxylate
CID 129033824
ethyl 5-methyl-1-phenylpyrazole-3-carboxylate
CID 10900438
ethyl 4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-3-methoxy-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 129013282

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-hydroxypiperidin-1-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate?
The IUPAC name of ethyl 4-(4-hydroxypiperidin-1-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate (CID 126743223) is ethyl 4-(4-hydroxypiperidin-1-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 4-(4-hydroxypiperidin-1-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate?
The canonical SMILES for ethyl 4-(4-hydroxypiperidin-1-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate is CCOC(=O)c1cc(N2CCC(O)CC2)c2c(C)nn(-c3ccccc3)c2n1.
What is the InChIKey of ethyl 4-(4-hydroxypiperidin-1-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate?
The InChIKey is URSXPRGXHGXHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-3-28-21(27)17-13-18(24-11-9-16(26)10-12-24)19-14(2)23-25(20(19)22-17)15-7-5-4-6-8-15/h4-8,13,16,26H,3,9-12H2,1-2H3.
What are the key properties of ethyl 4-(4-hydroxypiperidin-1-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate?
ethyl 4-(4-hydroxypiperidin-1-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate has a molecular weight of 380.45 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-hydroxypiperidin-1-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate is sourced from PubChem (CID 126743223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).