N-(2-aminoethyl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-(3-aminopropyl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;methyl 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate

C102H79Cl2F5N18O4S — CID 158713177

About N-(2-aminoethyl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-(3-aminopropyl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;methyl 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate

N-(2-aminoethyl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-(3-aminopropyl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;methyl 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 158713177) has the molecular formula C102H79Cl2F5N18O4S and a molecular weight of 1818.84 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-(3-aminopropyl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;methyl 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: N-(2-aminoethyl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-(3-aminopropyl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;methyl 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate
• PubChem CID: 158713177
• Molecular Formula: C102H79Cl2F5N18O4S
• Molecular Weight: 1818.84 g/mol
• Exact Mass: 1816.55
• IUPAC Name: N-(2-aminoethyl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-(3-aminopropyl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;methyl 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate
• SMILES: COC(=O)c1cnc2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cn12.Cc1cc(-c2ncccc2-c2ccn3ncc(C(=O)NCCCN)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccn3ncc(C(=O)NCCN)c3c2)ccc1F.Fc1ccc(-c2ncccc2-c2ccc3nccn3c2)cc1Cl.Fc1ccc(-c2ncccc2-c2ccc3ncsc3c2)cc1Cl
• InChI: InChI=1S/C23H22FN5O.C22H20FN5O.C21H16FN3O2.C18H11ClFN3.C18H10ClFN2S/c1-15-12-17(5-6-20(15)24)22-18(4-2-9-26-22)16-7-11-29-21(13-16)19(14-28-29)23(30)27-10-3-8-25;1-14-11-16(4-5-19(14)23)21-17(3-2-8-25-21)15-6-10-28-20(12-15)18(13-27-28)22(29)26-9-7-24;1-13-10-14(5-7-17(13)22)20-16(4-3-9-23-20)15-6-8-19-24-11-18(21(26)27-2)25(19)12-15;19-15-10-12(3-5-16(15)20)18-14(2-1-7-22-18)13-4-6-17-21-8-9-23(17)11-13;19-14-8-12(3-5-15(14)20)18-13(2-1-7-21-18)11-4-6-16-17(9-11)23-10-22-16/h2,4-7,9,11-14H,3,8,10,25H2,1H3,(H,27,30);2-6,8,10-13H,7,9,24H2,1H3,(H,26,29);3-12H,1-2H3;1-11H;1-10H
• InChIKey: IIZDZEUFXMQCCQ-UHFFFAOYSA-N
• XLogP: 21.76
• TPSA: 283.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 18
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1818.84
LogP ≤ 5	21.76
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-(3-aminopropyl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;methyl 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate?

The IUPAC name of N-(2-aminoethyl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-(3-aminopropyl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;methyl 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate (CID 158713177) is N-(2-aminoethyl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-(3-aminopropyl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;methyl 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate.

What is the SMILES notation for N-(2-aminoethyl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-(3-aminopropyl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;methyl 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate?

The canonical SMILES for N-(2-aminoethyl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-(3-aminopropyl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;methyl 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate is COC(=O)c1cnc2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cn12.Cc1cc(-c2ncccc2-c2ccn3ncc(C(=O)NCCCN)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccn3ncc(C(=O)NCCN)c3c2)ccc1F.Fc1ccc(-c2ncccc2-c2ccc3nccn3c2)cc1Cl.Fc1ccc(-c2ncccc2-c2ccc3ncsc3c2)cc1Cl.

What is the InChIKey of N-(2-aminoethyl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-(3-aminopropyl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;methyl 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate?

The InChIKey is IIZDZEUFXMQCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O.C22H20FN5O.C21H16FN3O2.C18H11ClFN3.C18H10ClFN2S/c1-15-12-17(5-6-20(15)24)22-18(4-2-9-26-22)16-7-11-29-21(13-16)19(14-28-29)23(30)27-10-3-8-25;1-14-11-16(4-5-19(14)23)21-17(3-2-8-25-21)15-6-10-28-20(12-15)18(13-27-28)22(29)26-9-7-24;1-13-10-14(5-7-17(13)22)20-16(4-3-9-23-20)15-6-8-19-24-11-18(21(26)27-2)25(19)12-15;19-15-10-12(3-5-16(15)20)18-14(2-1-7-22-18)13-4-6-17-21-8-9-23(17)11-13;19-14-8-12(3-5-15(14)20)18-13(2-1-7-21-18)11-4-6-16-17(9-11)23-10-22-16/h2,4-7,9,11-14H,3,8,10,25H2,1H3,(H,27,30);2-6,8,10-13H,7,9,24H2,1H3,(H,26,29);3-12H,1-2H3;1-11H;1-10H.

What are the key properties of N-(2-aminoethyl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-(3-aminopropyl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;methyl 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate?

N-(2-aminoethyl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-(3-aminopropyl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;methyl 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 1818.84 g/mol, XLogP of 21.76, 18 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminoethyl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-(3-aminopropyl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;methyl 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 158713177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).