1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]-1-[2-(1H-indol-3-yl)ethyl]-2-[2-(1H-indol-4-yl)ethyl]-2-[6-(5-methoxy-3-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]hydrazine

C51H46N12O2 — CID 91030877

About 1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]-1-[2-(1H-indol-3-yl)ethyl]-2-[2-(1H-indol-4-yl)ethyl]-2-[6-(5-methoxy-3-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]hydrazine

1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]-1-[2-(1H-indol-3-yl)ethyl]-2-[2-(1H-indol-4-yl)ethyl]-2-[6-(5-methoxy-3-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]hydrazine (PubChem CID 91030877) has the molecular formula C51H46N12O2 and a molecular weight of 859.01 g/mol. Its IUPAC name is 1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]-1-[2-(1H-indol-3-yl)ethyl]-2-[2-(1H-indol-4-yl)ethyl]-2-[6-(5-methoxy-3-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

• Compound Name: 1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]-1-[2-(1H-indol-3-yl)ethyl]-2-[2-(1H-indol-4-yl)ethyl]-2-[6-(5-methoxy-3-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]hydrazine
• PubChem CID: 91030877
• Molecular Formula: C51H46N12O2
• Molecular Weight: 859.01 g/mol
• Exact Mass: 858.39
• IUPAC Name: 1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]-1-[2-(1H-indol-3-yl)ethyl]-2-[2-(1H-indol-4-yl)ethyl]-2-[6-(5-methoxy-3-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]hydrazine
• SMILES: COc1cncc(-c2cc(N(CCc3cccc4[nH]ccc34)N(CCc3c[nH]c4ccccc34)c3cc(-c4c(C)noc4C)nc(-c4cccc(C)n4)n3)nc(-c3cccc(C)n3)n2)c1
• InChI: InChI=1S/C51H46N12O2/c1-31-11-8-17-43(55-31)50-57-45(37-25-38(64-5)30-52-28-37)26-47(59-50)62(23-20-35-13-10-16-41-40(35)19-22-53-41)63(24-21-36-29-54-42-15-7-6-14-39(36)42)48-27-46(49-33(3)61-65-34(49)4)58-51(60-48)44-18-9-12-32(2)56-44/h6-19,22,25-30,53-54H,20-21,23-24H2,1-5H3
• InChIKey: PVEZTQHWUZJCSS-UHFFFAOYSA-N
• XLogP: 10.03
• TPSA: 163.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	859.01
LogP ≤ 5	10.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]-1-[2-(1H-indol-3-yl)ethyl]-2-[2-(1H-indol-4-yl)ethyl]-2-[6-(5-methoxy-3-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]hydrazine?

The IUPAC name of 1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]-1-[2-(1H-indol-3-yl)ethyl]-2-[2-(1H-indol-4-yl)ethyl]-2-[6-(5-methoxy-3-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]hydrazine (CID 91030877) is 1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]-1-[2-(1H-indol-3-yl)ethyl]-2-[2-(1H-indol-4-yl)ethyl]-2-[6-(5-methoxy-3-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]hydrazine.

What is the SMILES notation for 1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]-1-[2-(1H-indol-3-yl)ethyl]-2-[2-(1H-indol-4-yl)ethyl]-2-[6-(5-methoxy-3-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]hydrazine?

The canonical SMILES for 1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]-1-[2-(1H-indol-3-yl)ethyl]-2-[2-(1H-indol-4-yl)ethyl]-2-[6-(5-methoxy-3-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]hydrazine is COc1cncc(-c2cc(N(CCc3cccc4[nH]ccc34)N(CCc3c[nH]c4ccccc34)c3cc(-c4c(C)noc4C)nc(-c4cccc(C)n4)n3)nc(-c3cccc(C)n3)n2)c1.

What is the InChIKey of 1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]-1-[2-(1H-indol-3-yl)ethyl]-2-[2-(1H-indol-4-yl)ethyl]-2-[6-(5-methoxy-3-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]hydrazine?

The InChIKey is PVEZTQHWUZJCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H46N12O2/c1-31-11-8-17-43(55-31)50-57-45(37-25-38(64-5)30-52-28-37)26-47(59-50)62(23-20-35-13-10-16-41-40(35)19-22-53-41)63(24-21-36-29-54-42-15-7-6-14-39(36)42)48-27-46(49-33(3)61-65-34(49)4)58-51(60-48)44-18-9-12-32(2)56-44/h6-19,22,25-30,53-54H,20-21,23-24H2,1-5H3.

What are the key properties of 1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]-1-[2-(1H-indol-3-yl)ethyl]-2-[2-(1H-indol-4-yl)ethyl]-2-[6-(5-methoxy-3-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]hydrazine?

1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]-1-[2-(1H-indol-3-yl)ethyl]-2-[2-(1H-indol-4-yl)ethyl]-2-[6-(5-methoxy-3-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]hydrazine has a molecular weight of 859.01 g/mol, XLogP of 10.03, 14 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]-1-[2-(1H-indol-3-yl)ethyl]-2-[2-(1H-indol-4-yl)ethyl]-2-[6-(5-methoxy-3-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 91030877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).