N-(3-chlorophenyl)-5-[4-[[2-methyl-6-[5-[[5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-yl]amino]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-pyridinyl]oxy]phenyl]-1H-1,2,4-triazol-3-amine

C44H37ClN10O2 — CID 123570880

About N-(3-chlorophenyl)-5-[4-[[2-methyl-6-[5-[[5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-yl]amino]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-pyridinyl]oxy]phenyl]-1H-1,2,4-triazol-3-amine

N-(3-chlorophenyl)-5-[4-[[2-methyl-6-[5-[[5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-yl]amino]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-pyridinyl]oxy]phenyl]-1H-1,2,4-triazol-3-amine (PubChem CID 123570880) has the molecular formula C44H37ClN10O2 and a molecular weight of 773.30 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-[4-[[2-methyl-6-[5-[[5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-yl]amino]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-pyridinyl]oxy]phenyl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

• Compound Name: N-(3-chlorophenyl)-5-[4-[[2-methyl-6-[5-[[5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-yl]amino]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-pyridinyl]oxy]phenyl]-1H-1,2,4-triazol-3-amine
• PubChem CID: 123570880
• Molecular Formula: C44H37ClN10O2
• Molecular Weight: 773.30 g/mol
• Exact Mass: 772.28
• IUPAC Name: N-(3-chlorophenyl)-5-[4-[[2-methyl-6-[5-[[5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-yl]amino]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-pyridinyl]oxy]phenyl]-1H-1,2,4-triazol-3-amine
• SMILES: Cc1cc(Oc2ccc(-c3nc(Nc4cccc5c4CCCC5c4cc(Oc5ccc(-c6nc(Nc7cccc(Cl)c7)n[nH]6)cc5)cc(C)n4)n[nH]3)cc2)ccn1
• InChI: InChI=1S/C44H37ClN10O2/c1-26-22-34(20-21-46-26)56-32-16-12-29(13-17-32)42-51-44(55-53-42)49-39-11-5-8-36-37(39)9-4-10-38(36)40-25-35(23-27(2)47-40)57-33-18-14-28(15-19-33)41-50-43(54-52-41)48-31-7-3-6-30(45)24-31/h3,5-8,11-25,38H,4,9-10H2,1-2H3,(H2,48,50,52,54)(H2,49,51,53,55)
• InChIKey: AEFKBVKETDQIEX-UHFFFAOYSA-N
• XLogP: 10.86
• TPSA: 151.44 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	773.30
LogP ≤ 5	10.86
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-[4-[[2-methyl-6-[5-[[5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-yl]amino]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-pyridinyl]oxy]phenyl]-1H-1,2,4-triazol-3-amine?

The IUPAC name of N-(3-chlorophenyl)-5-[4-[[2-methyl-6-[5-[[5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-yl]amino]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-pyridinyl]oxy]phenyl]-1H-1,2,4-triazol-3-amine (CID 123570880) is N-(3-chlorophenyl)-5-[4-[[2-methyl-6-[5-[[5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-yl]amino]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-pyridinyl]oxy]phenyl]-1H-1,2,4-triazol-3-amine.

What is the SMILES notation for N-(3-chlorophenyl)-5-[4-[[2-methyl-6-[5-[[5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-yl]amino]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-pyridinyl]oxy]phenyl]-1H-1,2,4-triazol-3-amine?

The canonical SMILES for N-(3-chlorophenyl)-5-[4-[[2-methyl-6-[5-[[5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-yl]amino]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-pyridinyl]oxy]phenyl]-1H-1,2,4-triazol-3-amine is Cc1cc(Oc2ccc(-c3nc(Nc4cccc5c4CCCC5c4cc(Oc5ccc(-c6nc(Nc7cccc(Cl)c7)n[nH]6)cc5)cc(C)n4)n[nH]3)cc2)ccn1.

What is the InChIKey of N-(3-chlorophenyl)-5-[4-[[2-methyl-6-[5-[[5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-yl]amino]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-pyridinyl]oxy]phenyl]-1H-1,2,4-triazol-3-amine?

The InChIKey is AEFKBVKETDQIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H37ClN10O2/c1-26-22-34(20-21-46-26)56-32-16-12-29(13-17-32)42-51-44(55-53-42)49-39-11-5-8-36-37(39)9-4-10-38(36)40-25-35(23-27(2)47-40)57-33-18-14-28(15-19-33)41-50-43(54-52-41)48-31-7-3-6-30(45)24-31/h3,5-8,11-25,38H,4,9-10H2,1-2H3,(H2,48,50,52,54)(H2,49,51,53,55).

What are the key properties of N-(3-chlorophenyl)-5-[4-[[2-methyl-6-[5-[[5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-yl]amino]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-pyridinyl]oxy]phenyl]-1H-1,2,4-triazol-3-amine?

N-(3-chlorophenyl)-5-[4-[[2-methyl-6-[5-[[5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-yl]amino]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-pyridinyl]oxy]phenyl]-1H-1,2,4-triazol-3-amine has a molecular weight of 773.30 g/mol, XLogP of 10.86, 11 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chlorophenyl)-5-[4-[[2-methyl-6-[5-[[5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-yl]amino]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-pyridinyl]oxy]phenyl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 123570880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).