5-(2-chloro-4-pyridinyl)-3-[1-[2,3-difluoro-4-[3-(methylamino)propoxy]phenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-[3-(methylamino)propoxy]phenyl]tetrazol-5-yl]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-[3-(methylamino)propoxy]phenyl]tetrazol-5-yl]-5-(1-propylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-pentoxyphenyl)tetrazol-5-yl]-5-(1-methylpyrazol-4-yl)pyridin-2-amine

C88H96ClF7N34O4 — CID 159422992

About 5-(2-chloro-4-pyridinyl)-3-[1-[2,3-difluoro-4-[3-(methylamino)propoxy]phenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-[3-(methylamino)propoxy]phenyl]tetrazol-5-yl]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-[3-(methylamino)propoxy]phenyl]tetrazol-5-yl]-5-(1-propylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-pentoxyphenyl)tetrazol-5-yl]-5-(1-methylpyrazol-4-yl)pyridin-2-amine

5-(2-chloro-4-pyridinyl)-3-[1-[2,3-difluoro-4-[3-(methylamino)propoxy]phenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-[3-(methylamino)propoxy]phenyl]tetrazol-5-yl]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-[3-(methylamino)propoxy]phenyl]tetrazol-5-yl]-5-(1-propylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-pentoxyphenyl)tetrazol-5-yl]-5-(1-methylpyrazol-4-yl)pyridin-2-amine (PubChem CID 159422992) has the molecular formula C88H96ClF7N34O4 and a molecular weight of 1862.41 g/mol. Its IUPAC name is 5-(2-chloro-4-pyridinyl)-3-[1-[2,3-difluoro-4-[3-(methylamino)propoxy]phenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-[3-(methylamino)propoxy]phenyl]tetrazol-5-yl]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-[3-(methylamino)propoxy]phenyl]tetrazol-5-yl]-5-(1-propylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-pentoxyphenyl)tetrazol-5-yl]-5-(1-methylpyrazol-4-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: 5-(2-chloro-4-pyridinyl)-3-[1-[2,3-difluoro-4-[3-(methylamino)propoxy]phenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-[3-(methylamino)propoxy]phenyl]tetrazol-5-yl]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-[3-(methylamino)propoxy]phenyl]tetrazol-5-yl]-5-(1-propylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-pentoxyphenyl)tetrazol-5-yl]-5-(1-methylpyrazol-4-yl)pyridin-2-amine
• PubChem CID: 159422992
• Molecular Formula: C88H96ClF7N34O4
• Molecular Weight: 1862.41 g/mol
• Exact Mass: 1860.79
• IUPAC Name: 5-(2-chloro-4-pyridinyl)-3-[1-[2,3-difluoro-4-[3-(methylamino)propoxy]phenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-[3-(methylamino)propoxy]phenyl]tetrazol-5-yl]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-[3-(methylamino)propoxy]phenyl]tetrazol-5-yl]-5-(1-propylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-pentoxyphenyl)tetrazol-5-yl]-5-(1-methylpyrazol-4-yl)pyridin-2-amine
• SMILES: CCCCCOc1ccc(-n2nnnc2-c2cc(-c3cnn(C)c3)cnc2N)c(F)c1C.CCCn1cc(-c2cnc(N)c(-c3nnnn3-c3ccc(OCCCNC)c(F)c3F)c2)cn1.CNCCCOc1ccc(-n2nnnc2-c2cc(-c3ccnc(Cl)c3)cnc2N)c(F)c1F.CNCCCOc1ccc(-n2nnnc2-c2cc(-c3cnn(CC(C)C)c3)cnc2N)c(F)c1F
• InChI: InChI=1S/C23H27F2N9O.C22H25F2N9O.C22H25FN8O.C21H19ClF2N8O/c1-14(2)12-33-13-16(11-29-33)15-9-17(22(26)28-10-15)23-30-31-32-34(23)18-5-6-19(21(25)20(18)24)35-8-4-7-27-3;1-3-8-32-13-15(12-28-32)14-10-16(21(25)27-11-14)22-29-30-31-33(22)17-5-6-18(20(24)19(17)23)34-9-4-7-26-2;1-4-5-6-9-32-19-8-7-18(20(23)14(19)2)31-22(27-28-29-31)17-10-15(11-25-21(17)24)16-12-26-30(3)13-16;1-26-6-2-8-33-16-4-3-15(18(23)19(16)24)32-21(29-30-31-32)14-9-13(11-28-20(14)25)12-5-7-27-17(22)10-12/h5-6,9-11,13-14,27H,4,7-8,12H2,1-3H3,(H2,26,28);5-6,10-13,26H,3-4,7-9H2,1-2H3,(H2,25,27);7-8,10-13H,4-6,9H2,1-3H3,(H2,24,25);3-5,7,9-11,26H,2,6,8H2,1H3,(H2,25,28)
• InChIKey: LPZOIQAHCUREBD-UHFFFAOYSA-N
• XLogP: 12.95
• TPSA: 469.40 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 38
• Rotatable Bonds: 36
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1862.41
LogP ≤ 5	12.95
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-pyridinyl)-3-[1-[2,3-difluoro-4-[3-(methylamino)propoxy]phenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-[3-(methylamino)propoxy]phenyl]tetrazol-5-yl]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-[3-(methylamino)propoxy]phenyl]tetrazol-5-yl]-5-(1-propylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-pentoxyphenyl)tetrazol-5-yl]-5-(1-methylpyrazol-4-yl)pyridin-2-amine?

The IUPAC name of 5-(2-chloro-4-pyridinyl)-3-[1-[2,3-difluoro-4-[3-(methylamino)propoxy]phenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-[3-(methylamino)propoxy]phenyl]tetrazol-5-yl]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-[3-(methylamino)propoxy]phenyl]tetrazol-5-yl]-5-(1-propylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-pentoxyphenyl)tetrazol-5-yl]-5-(1-methylpyrazol-4-yl)pyridin-2-amine (CID 159422992) is 5-(2-chloro-4-pyridinyl)-3-[1-[2,3-difluoro-4-[3-(methylamino)propoxy]phenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-[3-(methylamino)propoxy]phenyl]tetrazol-5-yl]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-[3-(methylamino)propoxy]phenyl]tetrazol-5-yl]-5-(1-propylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-pentoxyphenyl)tetrazol-5-yl]-5-(1-methylpyrazol-4-yl)pyridin-2-amine.

What is the SMILES notation for 5-(2-chloro-4-pyridinyl)-3-[1-[2,3-difluoro-4-[3-(methylamino)propoxy]phenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-[3-(methylamino)propoxy]phenyl]tetrazol-5-yl]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-[3-(methylamino)propoxy]phenyl]tetrazol-5-yl]-5-(1-propylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-pentoxyphenyl)tetrazol-5-yl]-5-(1-methylpyrazol-4-yl)pyridin-2-amine?

The canonical SMILES for 5-(2-chloro-4-pyridinyl)-3-[1-[2,3-difluoro-4-[3-(methylamino)propoxy]phenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-[3-(methylamino)propoxy]phenyl]tetrazol-5-yl]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-[3-(methylamino)propoxy]phenyl]tetrazol-5-yl]-5-(1-propylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-pentoxyphenyl)tetrazol-5-yl]-5-(1-methylpyrazol-4-yl)pyridin-2-amine is CCCCCOc1ccc(-n2nnnc2-c2cc(-c3cnn(C)c3)cnc2N)c(F)c1C.CCCn1cc(-c2cnc(N)c(-c3nnnn3-c3ccc(OCCCNC)c(F)c3F)c2)cn1.CNCCCOc1ccc(-n2nnnc2-c2cc(-c3ccnc(Cl)c3)cnc2N)c(F)c1F.CNCCCOc1ccc(-n2nnnc2-c2cc(-c3cnn(CC(C)C)c3)cnc2N)c(F)c1F.

What is the InChIKey of 5-(2-chloro-4-pyridinyl)-3-[1-[2,3-difluoro-4-[3-(methylamino)propoxy]phenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-[3-(methylamino)propoxy]phenyl]tetrazol-5-yl]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-[3-(methylamino)propoxy]phenyl]tetrazol-5-yl]-5-(1-propylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-pentoxyphenyl)tetrazol-5-yl]-5-(1-methylpyrazol-4-yl)pyridin-2-amine?

The InChIKey is LPZOIQAHCUREBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N9O.C22H25F2N9O.C22H25FN8O.C21H19ClF2N8O/c1-14(2)12-33-13-16(11-29-33)15-9-17(22(26)28-10-15)23-30-31-32-34(23)18-5-6-19(21(25)20(18)24)35-8-4-7-27-3;1-3-8-32-13-15(12-28-32)14-10-16(21(25)27-11-14)22-29-30-31-33(22)17-5-6-18(20(24)19(17)23)34-9-4-7-26-2;1-4-5-6-9-32-19-8-7-18(20(23)14(19)2)31-22(27-28-29-31)17-10-15(11-25-21(17)24)16-12-26-30(3)13-16;1-26-6-2-8-33-16-4-3-15(18(23)19(16)24)32-21(29-30-31-32)14-9-13(11-28-20(14)25)12-5-7-27-17(22)10-12/h5-6,9-11,13-14,27H,4,7-8,12H2,1-3H3,(H2,26,28);5-6,10-13,26H,3-4,7-9H2,1-2H3,(H2,25,27);7-8,10-13H,4-6,9H2,1-3H3,(H2,24,25);3-5,7,9-11,26H,2,6,8H2,1H3,(H2,25,28).

What are the key properties of 5-(2-chloro-4-pyridinyl)-3-[1-[2,3-difluoro-4-[3-(methylamino)propoxy]phenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-[3-(methylamino)propoxy]phenyl]tetrazol-5-yl]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-[3-(methylamino)propoxy]phenyl]tetrazol-5-yl]-5-(1-propylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-pentoxyphenyl)tetrazol-5-yl]-5-(1-methylpyrazol-4-yl)pyridin-2-amine?

5-(2-chloro-4-pyridinyl)-3-[1-[2,3-difluoro-4-[3-(methylamino)propoxy]phenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-[3-(methylamino)propoxy]phenyl]tetrazol-5-yl]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-[3-(methylamino)propoxy]phenyl]tetrazol-5-yl]-5-(1-propylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-pentoxyphenyl)tetrazol-5-yl]-5-(1-methylpyrazol-4-yl)pyridin-2-amine has a molecular weight of 1862.41 g/mol, XLogP of 12.95, 36 rotatable bonds, 7 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-chloro-4-pyridinyl)-3-[1-[2,3-difluoro-4-[3-(methylamino)propoxy]phenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-[3-(methylamino)propoxy]phenyl]tetrazol-5-yl]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-[3-(methylamino)propoxy]phenyl]tetrazol-5-yl]-5-(1-propylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-pentoxyphenyl)tetrazol-5-yl]-5-(1-methylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 159422992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).