6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-indazol-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-isoindol-1-amine;5-[2-(3-chlorophenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(3-chlorophenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide

C119H88Cl5F4N21O4 — CID 158583519

About 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-indazol-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-isoindol-1-amine;5-[2-(3-chlorophenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(3-chlorophenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide

6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-indazol-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-isoindol-1-amine;5-[2-(3-chlorophenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(3-chlorophenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 158583519) has the molecular formula C119H88Cl5F4N21O4 and a molecular weight of 2129.41 g/mol. Its IUPAC name is 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-indazol-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-isoindol-1-amine;5-[2-(3-chlorophenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(3-chlorophenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-indazol-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-isoindol-1-amine;5-[2-(3-chlorophenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(3-chlorophenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 158583519
• Molecular Formula: C119H88Cl5F4N21O4
• Molecular Weight: 2129.41 g/mol
• Exact Mass: 2125.57
• IUPAC Name: 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-indazol-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-isoindol-1-amine;5-[2-(3-chlorophenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(3-chlorophenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)NCC45CCCN4CCC5)n3c2)ccc1F.NC1=NCc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc21.Nc1n[nH]c2cc(-c3cccnc3-c3ccc(F)c(Cl)c3)ccc12.Nc1noc2cc(-c3cccnc3-c3ccc(F)c(Cl)c3)ccc12.Nc1noc2cc(-c3cccnc3-c3cccc(Cl)c3)ccc12.Nc1noc2ccc(-c3cccnc3-c3cccc(Cl)c3)cc12
• InChI: InChI=1S/C28H28FN5O.C19H13ClFN3.C18H12ClFN4.C18H11ClFN3O.2C18H12ClN3O/c1-19-15-20(6-8-23(19)29)26-22(5-2-12-30-26)21-7-9-25-31-16-24(34(25)17-21)27(35)32-18-28-10-3-13-33(28)14-4-11-28;20-16-9-12(5-6-17(16)21)18-14(2-1-7-23-18)11-3-4-13-10-24-19(22)15(13)8-11;19-14-8-11(4-6-15(14)20)17-12(2-1-7-22-17)10-3-5-13-16(9-10)23-24-18(13)21;19-14-8-11(4-6-15(14)20)17-12(2-1-7-22-17)10-3-5-13-16(9-10)24-23-18(13)21;19-13-4-1-3-12(9-13)17-14(5-2-8-21-17)11-6-7-16-15(10-11)18(20)22-23-16;19-13-4-1-3-12(9-13)17-14(5-2-8-21-17)11-6-7-15-16(10-11)23-22-18(15)20/h2,5-9,12,15-17H,3-4,10-11,13-14,18H2,1H3,(H,32,35);1-9H,10H2,(H2,22,24);1-9H,(H3,21,23,24);1-9H,(H2,21,23);2*1-10H,(H2,20,22)
• InChIKey: HTNROURSDTXPNU-UHFFFAOYSA-N
• XLogP: 28.48
• TPSA: 376.21 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2129.41
LogP ≤ 5	28.48
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-indazol-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-isoindol-1-amine;5-[2-(3-chlorophenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(3-chlorophenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-indazol-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-isoindol-1-amine;5-[2-(3-chlorophenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(3-chlorophenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 158583519) is 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-indazol-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-isoindol-1-amine;5-[2-(3-chlorophenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(3-chlorophenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-indazol-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-isoindol-1-amine;5-[2-(3-chlorophenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(3-chlorophenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-indazol-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-isoindol-1-amine;5-[2-(3-chlorophenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(3-chlorophenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide is Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)NCC45CCCN4CCC5)n3c2)ccc1F.NC1=NCc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc21.Nc1n[nH]c2cc(-c3cccnc3-c3ccc(F)c(Cl)c3)ccc12.Nc1noc2cc(-c3cccnc3-c3ccc(F)c(Cl)c3)ccc12.Nc1noc2cc(-c3cccnc3-c3cccc(Cl)c3)ccc12.Nc1noc2ccc(-c3cccnc3-c3cccc(Cl)c3)cc12.

What is the InChIKey of 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-indazol-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-isoindol-1-amine;5-[2-(3-chlorophenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(3-chlorophenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is HTNROURSDTXPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN5O.C19H13ClFN3.C18H12ClFN4.C18H11ClFN3O.2C18H12ClN3O/c1-19-15-20(6-8-23(19)29)26-22(5-2-12-30-26)21-7-9-25-31-16-24(34(25)17-21)27(35)32-18-28-10-3-13-33(28)14-4-11-28;20-16-9-12(5-6-17(16)21)18-14(2-1-7-23-18)11-3-4-13-10-24-19(22)15(13)8-11;19-14-8-11(4-6-15(14)20)17-12(2-1-7-22-17)10-3-5-13-16(9-10)23-24-18(13)21;19-14-8-11(4-6-15(14)20)17-12(2-1-7-22-17)10-3-5-13-16(9-10)24-23-18(13)21;19-13-4-1-3-12(9-13)17-14(5-2-8-21-17)11-6-7-16-15(10-11)18(20)22-23-16;19-13-4-1-3-12(9-13)17-14(5-2-8-21-17)11-6-7-15-16(10-11)23-22-18(15)20/h2,5-9,12,15-17H,3-4,10-11,13-14,18H2,1H3,(H,32,35);1-9H,10H2,(H2,22,24);1-9H,(H3,21,23,24);1-9H,(H2,21,23);2*1-10H,(H2,20,22).

What are the key properties of 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-indazol-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-isoindol-1-amine;5-[2-(3-chlorophenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(3-chlorophenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide?

6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-indazol-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-isoindol-1-amine;5-[2-(3-chlorophenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(3-chlorophenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 2129.41 g/mol, XLogP of 28.48, 15 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-indazol-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-isoindol-1-amine;5-[2-(3-chlorophenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(3-chlorophenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 158583519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).