ethyl 1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate;1-[(2-fluorophenyl)methyl]-3-(3-methoxy-1H-1,2,4-triazol-5-yl)pyrazolo[5,4-b]pyridine;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carbohydrazide;5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,3,4-oxadiazol-2-amine

C61H50F4N20O5 — CID 159444658

IUPACethyl 1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate;1-[(2-fluorophenyl)methyl]-3-(3-methoxy-1H-1,2,4-triazol-5-yl)pyrazolo[5,4-b]pyridine;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carbohydrazide;5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,3,4-oxadiazol-2-amine
SMILESCCOC(=O)c1nn(Cc2ccccc2F)c2ncccc12.COc1n[nH]c(-c2nn(Cc3ccccc3F)c3ncccc23)n1.NNC(=O)c1nn(Cc2ccccc2F)c2ncccc12.Nc1nnc(-c2nn(Cc3ccccc3F)c3ncccc23)o1
InChIInChI=1S/C16H13FN6O.C16H14FN3O2.C15H11FN6O.C14H12FN5O/c1-24-16-19-14(20-21-16)13-11-6-4-8-18-15(11)23(22-13)9-10-5-2-3-7-12(10)17;1-2-22-16(21)14-12-7-5-9-18-15(12)20(19-14)10-11-6-3-4-8-13(11)17;16-11-6-2-1-4-9(11)8-22-13-10(5-3-7-18-13)12(21-22)14-19-20-15(17)23-14;15-11-6-2-1-4-9(11)8-20-13-10(5-3-7-17-13)12(19-20)14(21)18-16/h2-8H,9H2,1H3,(H,19,20,21);3-9H,2,10H2,1H3;1-7H,8H2,(H2,17,20);1-7H,8,16H2,(H,18,21)
InChIKeyLSPPCWNVLXOYMG-UHFFFAOYSA-N
MW1219.20 g/mol
LogP8.68
Rot. Bonds14

About ethyl 1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate;1-[(2-fluorophenyl)methyl]-3-(3-methoxy-1H-1,2,4-triazol-5-yl)pyrazolo[5,4-b]pyridine;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carbohydrazide;5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,3,4-oxadiazol-2-amine

ethyl 1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate;1-[(2-fluorophenyl)methyl]-3-(3-methoxy-1H-1,2,4-triazol-5-yl)pyrazolo[5,4-b]pyridine;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carbohydrazide;5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,3,4-oxadiazol-2-amine (PubChem CID 159444658) has the molecular formula C61H50F4N20O5 and a molecular weight of 1219.20 g/mol. Its IUPAC name is ethyl 1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate;1-[(2-fluorophenyl)methyl]-3-(3-methoxy-1H-1,2,4-triazol-5-yl)pyrazolo[5,4-b]pyridine;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carbohydrazide;5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Nameethyl 1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate;1-[(2-fluorophenyl)methyl]-3-(3-methoxy-1H-1,2,4-triazol-5-yl)pyrazolo[5,4-b]pyridine;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carbohydrazide;5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,3,4-oxadiazol-2-amine
PubChem CID159444658
Molecular FormulaC61H50F4N20O5
Molecular Weight1219.20 g/mol
Exact Mass1218.42
IUPAC Nameethyl 1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate;1-[(2-fluorophenyl)methyl]-3-(3-methoxy-1H-1,2,4-triazol-5-yl)pyrazolo[5,4-b]pyridine;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carbohydrazide;5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,3,4-oxadiazol-2-amine
SMILESCCOC(=O)c1nn(Cc2ccccc2F)c2ncccc12.COc1n[nH]c(-c2nn(Cc3ccccc3F)c3ncccc23)n1.NNC(=O)c1nn(Cc2ccccc2F)c2ncccc12.Nc1nnc(-c2nn(Cc3ccccc3F)c3ncccc23)o1
InChIInChI=1S/C16H13FN6O.C16H14FN3O2.C15H11FN6O.C14H12FN5O/c1-24-16-19-14(20-21-16)13-11-6-4-8-18-15(11)23(22-13)9-10-5-2-3-7-12(10)17;1-2-22-16(21)14-12-7-5-9-18-15(12)20(19-14)10-11-6-3-4-8-13(11)17;16-11-6-2-1-4-9(11)8-22-13-10(5-3-7-18-13)12(21-22)14-19-20-15(17)23-14;15-11-6-2-1-4-9(11)8-20-13-10(5-3-7-17-13)12(19-20)14(21)18-16/h2-8H,9H2,1H3,(H,19,20,21);3-9H,2,10H2,1H3;1-7H,8H2,(H2,17,20);1-7H,8,16H2,(H,18,21)
InChIKeyLSPPCWNVLXOYMG-UHFFFAOYSA-N
XLogP8.68
TPSA320.00 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds14
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001219.20
LogP ≤ 58.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl 1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate;1-[(2-fluorophenyl)methyl]-3-(3-methoxy-1H-1,2,4-triazol-5-yl)pyrazolo[5,4-b]pyridine;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carbohydrazide;5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,3,4-oxadiazol-2-amine with MolForge

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Related Compounds

4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-ethyl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-propyl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine-4,6-diamine;ethyl 3-[[6-[1-(2,4-difluorophenyl)ethylamino]pyrimidin-4-yl]amino]-1H-pyrazole-5-carboxylate
CID 157678294
2-fluoro-N-[6-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide;6-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide
CID 157858008
3-[4-(4,5-dihydro-1H-imidazol-2-yl)-5-ethylpyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine;ethane-1,2-diamine;ethyl 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4-carboxylate
CID 157879494
(Z)-3-(dimethylamino)-2-fluoroprop-2-enal;ethyl 5-amino-1-[(2-fluorophenyl)methyl]pyrazole-3-carboxylate;ethyl 5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate;5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine-3-carbonitrile;5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide
CID 158955760
Azane;ethyl 1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide
CID 158980131
6-(azepan-1-yl)-N'-(cyclohexanecarbonyl)-1-methylpyrazolo[5,4-b]pyridine-3-carbohydrazide;6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxylic acid;2-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-5-cyclohexyl-1,3,4-oxadiazole;2-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-5-piperidin-4-yl-1,3,4-oxadiazole;benzyl 4-(hydrazinecarbonyl)piperidine-1-carboxylate
CID 159315348
ethane-1,2-diamine;ethyl 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4-carboxylate;3-[5-ethyl-4-(1H-imidazol-2-yl)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine
CID 159576042
ethyl 2-[(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]acetate;ethyl 6-[(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyridine-2-carboxylate;2-[(3R)-1-(1-ethylpyrazol-4-yl)-3-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-5-methyl-1,3,4-oxadiazole
CID 159989826
Ethyl 5-amino-1-[(2-fluorophenyl)methyl]pyrazole-3-carboxylate;ethyl 1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate;ethyl 3-isocyano-2-oxopropanoate;(2-fluorophenyl)methylhydrazine;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide
CID 160263277
Ethyl 5-amino-1-[(2-fluorophenyl)methyl]pyrazole-3-carboxylate;ethyl 3-cyano-2-oxopropanoate;ethyl 1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate;(2-fluorophenyl)methylhydrazine;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide
CID 160270513
Ethyl 1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide;methane
CID 160741832
2-aminoethanol;5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-hydroxyethyl)pyrimidine-4-carboxamide;methyl 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4-carboxylate
CID 160899148

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate;1-[(2-fluorophenyl)methyl]-3-(3-methoxy-1H-1,2,4-triazol-5-yl)pyrazolo[5,4-b]pyridine;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carbohydrazide;5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of ethyl 1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate;1-[(2-fluorophenyl)methyl]-3-(3-methoxy-1H-1,2,4-triazol-5-yl)pyrazolo[5,4-b]pyridine;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carbohydrazide;5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,3,4-oxadiazol-2-amine (CID 159444658) is ethyl 1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate;1-[(2-fluorophenyl)methyl]-3-(3-methoxy-1H-1,2,4-triazol-5-yl)pyrazolo[5,4-b]pyridine;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carbohydrazide;5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for ethyl 1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate;1-[(2-fluorophenyl)methyl]-3-(3-methoxy-1H-1,2,4-triazol-5-yl)pyrazolo[5,4-b]pyridine;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carbohydrazide;5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for ethyl 1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate;1-[(2-fluorophenyl)methyl]-3-(3-methoxy-1H-1,2,4-triazol-5-yl)pyrazolo[5,4-b]pyridine;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carbohydrazide;5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,3,4-oxadiazol-2-amine is CCOC(=O)c1nn(Cc2ccccc2F)c2ncccc12.COc1n[nH]c(-c2nn(Cc3ccccc3F)c3ncccc23)n1.NNC(=O)c1nn(Cc2ccccc2F)c2ncccc12.Nc1nnc(-c2nn(Cc3ccccc3F)c3ncccc23)o1.
What is the InChIKey of ethyl 1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate;1-[(2-fluorophenyl)methyl]-3-(3-methoxy-1H-1,2,4-triazol-5-yl)pyrazolo[5,4-b]pyridine;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carbohydrazide;5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,3,4-oxadiazol-2-amine?
The InChIKey is LSPPCWNVLXOYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN6O.C16H14FN3O2.C15H11FN6O.C14H12FN5O/c1-24-16-19-14(20-21-16)13-11-6-4-8-18-15(11)23(22-13)9-10-5-2-3-7-12(10)17;1-2-22-16(21)14-12-7-5-9-18-15(12)20(19-14)10-11-6-3-4-8-13(11)17;16-11-6-2-1-4-9(11)8-22-13-10(5-3-7-18-13)12(21-22)14-19-20-15(17)23-14;15-11-6-2-1-4-9(11)8-20-13-10(5-3-7-17-13)12(19-20)14(21)18-16/h2-8H,9H2,1H3,(H,19,20,21);3-9H,2,10H2,1H3;1-7H,8H2,(H2,17,20);1-7H,8,16H2,(H,18,21).
What are the key properties of ethyl 1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate;1-[(2-fluorophenyl)methyl]-3-(3-methoxy-1H-1,2,4-triazol-5-yl)pyrazolo[5,4-b]pyridine;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carbohydrazide;5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,3,4-oxadiazol-2-amine?
ethyl 1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate;1-[(2-fluorophenyl)methyl]-3-(3-methoxy-1H-1,2,4-triazol-5-yl)pyrazolo[5,4-b]pyridine;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carbohydrazide;5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,3,4-oxadiazol-2-amine has a molecular weight of 1219.20 g/mol, XLogP of 8.68, 14 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate;1-[(2-fluorophenyl)methyl]-3-(3-methoxy-1H-1,2,4-triazol-5-yl)pyrazolo[5,4-b]pyridine;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carbohydrazide;5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 159444658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).