ethyl 4-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-methyl-1-phenyl-2,3-dihydropyrazolo[3,4-b]pyridine-6-carboxylate

C27H30N4O3 — CID 129033824

IUPACethyl 4-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-methyl-1-phenyl-2,3-dihydropyrazolo[3,4-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(N3CCC(O)CC3)cc2)c2c(n1)N(c1ccccc1)NC2C
InChIInChI=1S/C27H30N4O3/c1-3-34-27(33)24-17-23(19-9-11-20(12-10-19)30-15-13-22(32)14-16-30)25-18(2)29-31(26(25)28-24)21-7-5-4-6-8-21/h4-12,17-18,22,29,32H,3,13-16H2,1-2H3
InChIKeyKVSWRKOWJGUHCE-UHFFFAOYSA-N
MW458.56 g/mol
LogP4.60
Rot. Bonds5

About ethyl 4-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-methyl-1-phenyl-2,3-dihydropyrazolo[3,4-b]pyridine-6-carboxylate

ethyl 4-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-methyl-1-phenyl-2,3-dihydropyrazolo[3,4-b]pyridine-6-carboxylate (PubChem CID 129033824) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is ethyl 4-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-methyl-1-phenyl-2,3-dihydropyrazolo[3,4-b]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-methyl-1-phenyl-2,3-dihydropyrazolo[3,4-b]pyridine-6-carboxylate
PubChem CID129033824
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC Nameethyl 4-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-methyl-1-phenyl-2,3-dihydropyrazolo[3,4-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(N3CCC(O)CC3)cc2)c2c(n1)N(c1ccccc1)NC2C
InChIInChI=1S/C27H30N4O3/c1-3-34-27(33)24-17-23(19-9-11-20(12-10-19)30-15-13-22(32)14-16-30)25-18(2)29-31(26(25)28-24)21-7-5-4-6-8-21/h4-12,17-18,22,29,32H,3,13-16H2,1-2H3
InChIKeyKVSWRKOWJGUHCE-UHFFFAOYSA-N
XLogP4.60
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-methyl-1-phenyl-2,3-dihydropyrazolo[3,4-b]pyridine-6-carboxylate with MolForge

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Related Compounds

ethyl 4-(4-hydroxypiperidin-1-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126743223
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 1-(2,6-dimethyl-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridine-6-carboxylate
CID 129033688
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 4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-pyrrolidin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126742917
ethyl 6-anilino-4-[4-(4-tert-butylpiperazin-1-yl)phenyl]-5-ethanimidoylpyridine-2-carboxylate
CID 129033707
ethyl 4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-3-methoxy-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 129013282
1-phenylpiperidin-4-ol;dihydrochloride
CID 174840165
ethyl 6-[4-(2-oxo-1H-quinolin-3-yl)piperidin-1-yl]pyrimidine-4-carboxylate
CID 58386736
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
[3-ethanimidoyl-6-ethoxycarbonyl-4-[4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)phenyl]-2-pyridinyl]-phenylazanium
CID 145290249
ethyl 3-[4-(1-phenylethyl)piperidin-1-yl]benzoate
CID 70200665

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-methyl-1-phenyl-2,3-dihydropyrazolo[3,4-b]pyridine-6-carboxylate?
The IUPAC name of ethyl 4-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-methyl-1-phenyl-2,3-dihydropyrazolo[3,4-b]pyridine-6-carboxylate (CID 129033824) is ethyl 4-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-methyl-1-phenyl-2,3-dihydropyrazolo[3,4-b]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 4-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-methyl-1-phenyl-2,3-dihydropyrazolo[3,4-b]pyridine-6-carboxylate?
The canonical SMILES for ethyl 4-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-methyl-1-phenyl-2,3-dihydropyrazolo[3,4-b]pyridine-6-carboxylate is CCOC(=O)c1cc(-c2ccc(N3CCC(O)CC3)cc2)c2c(n1)N(c1ccccc1)NC2C.
What is the InChIKey of ethyl 4-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-methyl-1-phenyl-2,3-dihydropyrazolo[3,4-b]pyridine-6-carboxylate?
The InChIKey is KVSWRKOWJGUHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-3-34-27(33)24-17-23(19-9-11-20(12-10-19)30-15-13-22(32)14-16-30)25-18(2)29-31(26(25)28-24)21-7-5-4-6-8-21/h4-12,17-18,22,29,32H,3,13-16H2,1-2H3.
What are the key properties of ethyl 4-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-methyl-1-phenyl-2,3-dihydropyrazolo[3,4-b]pyridine-6-carboxylate?
ethyl 4-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-methyl-1-phenyl-2,3-dihydropyrazolo[3,4-b]pyridine-6-carboxylate has a molecular weight of 458.56 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-methyl-1-phenyl-2,3-dihydropyrazolo[3,4-b]pyridine-6-carboxylate is sourced from PubChem (CID 129033824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).