ethyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylate;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide

C103H103F4N19O6 — CID 159331936

IUPACethyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylate;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCCOC(=O)c1cnn2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cc12.Cc1cc(-c2ncccc2-c2ccn3ncc(C(=O)NCCCN4CCCC4)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccn3ncc(C(=O)NCCCN4CCN(C)CC4)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccn3ncc(C(=O)NCCN4CCOCC4)c3c2)ccc1F
InChIInChI=1S/C28H31FN6O.C27H28FN5O.C26H26FN5O2.C22H18FN3O2/c1-20-17-22(6-7-25(20)29)27-23(5-3-9-30-27)21-8-12-35-26(18-21)24(19-32-35)28(36)31-10-4-11-34-15-13-33(2)14-16-34;1-19-16-21(7-8-24(19)28)26-22(6-4-10-29-26)20-9-15-33-25(17-20)23(18-31-33)27(34)30-11-5-14-32-12-2-3-13-32;1-18-15-20(4-5-23(18)27)25-21(3-2-7-28-25)19-6-9-32-24(16-19)22(17-30-32)26(33)29-8-10-31-11-13-34-14-12-31;1-3-28-22(27)18-13-25-26-10-8-15(12-20(18)26)17-5-4-9-24-21(17)16-6-7-19(23)14(2)11-16/h3,5-9,12,17-19H,4,10-11,13-16H2,1-2H3,(H,31,36);4,6-10,15-18H,2-3,5,11-14H2,1H3,(H,30,34);2-7,9,15-17H,8,10-14H2,1H3,(H,29,33);4-13H,3H2,1-2H3
InChIKeyLFBINRYPXPQXIQ-UHFFFAOYSA-N
MW1779.08 g/mol
LogP16.86
Rot. Bonds24

About ethyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylate;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide

ethyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylate;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 159331936) has the molecular formula C103H103F4N19O6 and a molecular weight of 1779.08 g/mol. Its IUPAC name is ethyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylate;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Nameethyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylate;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID159331936
Molecular FormulaC103H103F4N19O6
Molecular Weight1779.08 g/mol
Exact Mass1777.83
IUPAC Nameethyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylate;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCCOC(=O)c1cnn2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cc12.Cc1cc(-c2ncccc2-c2ccn3ncc(C(=O)NCCCN4CCCC4)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccn3ncc(C(=O)NCCCN4CCN(C)CC4)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccn3ncc(C(=O)NCCN4CCOCC4)c3c2)ccc1F
InChIInChI=1S/C28H31FN6O.C27H28FN5O.C26H26FN5O2.C22H18FN3O2/c1-20-17-22(6-7-25(20)29)27-23(5-3-9-30-27)21-8-12-35-26(18-21)24(19-32-35)28(36)31-10-4-11-34-15-13-33(2)14-16-34;1-19-16-21(7-8-24(19)28)26-22(6-4-10-29-26)20-9-15-33-25(17-20)23(18-31-33)27(34)30-11-5-14-32-12-2-3-13-32;1-18-15-20(4-5-23(18)27)25-21(3-2-7-28-25)19-6-9-32-24(16-19)22(17-30-32)26(33)29-8-10-31-11-13-34-14-12-31;1-3-28-22(27)18-13-25-26-10-8-15(12-20(18)26)17-5-4-9-24-21(17)16-6-7-19(23)14(2)11-16/h3,5-9,12,17-19H,4,10-11,13-16H2,1-2H3,(H,31,36);4,6-10,15-18H,2-3,5,11-14H2,1H3,(H,30,34);2-7,9,15-17H,8,10-14H2,1H3,(H,29,33);4-13H,3H2,1-2H3
InChIKeyLFBINRYPXPQXIQ-UHFFFAOYSA-N
XLogP16.86
TPSA256.55 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds24
Heavy Atoms132
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001779.08
LogP ≤ 516.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylate;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylate;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of ethyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylate;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide (CID 159331936) is ethyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylate;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for ethyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylate;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for ethyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylate;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide is CCOC(=O)c1cnn2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cc12.Cc1cc(-c2ncccc2-c2ccn3ncc(C(=O)NCCCN4CCCC4)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccn3ncc(C(=O)NCCCN4CCN(C)CC4)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccn3ncc(C(=O)NCCN4CCOCC4)c3c2)ccc1F.
What is the InChIKey of ethyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylate;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is LFBINRYPXPQXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN6O.C27H28FN5O.C26H26FN5O2.C22H18FN3O2/c1-20-17-22(6-7-25(20)29)27-23(5-3-9-30-27)21-8-12-35-26(18-21)24(19-32-35)28(36)31-10-4-11-34-15-13-33(2)14-16-34;1-19-16-21(7-8-24(19)28)26-22(6-4-10-29-26)20-9-15-33-25(17-20)23(18-31-33)27(34)30-11-5-14-32-12-2-3-13-32;1-18-15-20(4-5-23(18)27)25-21(3-2-7-28-25)19-6-9-32-24(16-19)22(17-30-32)26(33)29-8-10-31-11-13-34-14-12-31;1-3-28-22(27)18-13-25-26-10-8-15(12-20(18)26)17-5-4-9-24-21(17)16-6-7-19(23)14(2)11-16/h3,5-9,12,17-19H,4,10-11,13-16H2,1-2H3,(H,31,36);4,6-10,15-18H,2-3,5,11-14H2,1H3,(H,30,34);2-7,9,15-17H,8,10-14H2,1H3,(H,29,33);4-13H,3H2,1-2H3.
What are the key properties of ethyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylate;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
ethyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylate;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 1779.08 g/mol, XLogP of 16.86, 24 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylate;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 159331936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).