5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-3-[4-methyl-1-[(5-methylidene-1,2-dihydropyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-5-yl]-1,2,4-oxadiazole

C25H26ClN5O2 — CID 143065593

About 5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-3-[4-methyl-1-[(5-methylidene-1,2-dihydropyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-5-yl]-1,2,4-oxadiazole

5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-3-[4-methyl-1-[(5-methylidene-1,2-dihydropyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-5-yl]-1,2,4-oxadiazole (PubChem CID 143065593) has the molecular formula C25H26ClN5O2 and a molecular weight of 463.97 g/mol. Its IUPAC name is 5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-3-[4-methyl-1-[(5-methylidene-1,2-dihydropyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-5-yl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-3-[4-methyl-1-[(5-methylidene-1,2-dihydropyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-5-yl]-1,2,4-oxadiazole
• PubChem CID: 143065593
• Molecular Formula: C25H26ClN5O2
• Molecular Weight: 463.97 g/mol
• Exact Mass: 463.18
• IUPAC Name: 5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-3-[4-methyl-1-[(5-methylidene-1,2-dihydropyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-5-yl]-1,2,4-oxadiazole
• SMILES: C=C1C=C(CC2CCc3c2ccc(-c2noc(-c4cnc(OC(C)C)c(Cl)c4)n2)c3C)NN1
• InChI: InChI=1S/C25H26ClN5O2/c1-13(2)32-25-22(26)11-17(12-27-25)24-28-23(31-33-24)20-7-8-21-16(5-6-19(21)15(20)4)10-18-9-14(3)29-30-18/h7-9,11-13,16,29-30H,3,5-6,10H2,1-2,4H3
• InChIKey: BLUGTAFIDHWZJT-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 85.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.97
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-3-[4-methyl-1-[(5-methylidene-1,2-dihydropyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-5-yl]-1,2,4-oxadiazole?

The IUPAC name of 5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-3-[4-methyl-1-[(5-methylidene-1,2-dihydropyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-5-yl]-1,2,4-oxadiazole (CID 143065593) is 5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-3-[4-methyl-1-[(5-methylidene-1,2-dihydropyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-5-yl]-1,2,4-oxadiazole.

What is the SMILES notation for 5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-3-[4-methyl-1-[(5-methylidene-1,2-dihydropyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-5-yl]-1,2,4-oxadiazole?

The canonical SMILES for 5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-3-[4-methyl-1-[(5-methylidene-1,2-dihydropyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-5-yl]-1,2,4-oxadiazole is C=C1C=C(CC2CCc3c2ccc(-c2noc(-c4cnc(OC(C)C)c(Cl)c4)n2)c3C)NN1.

What is the InChIKey of 5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-3-[4-methyl-1-[(5-methylidene-1,2-dihydropyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-5-yl]-1,2,4-oxadiazole?

The InChIKey is BLUGTAFIDHWZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O2/c1-13(2)32-25-22(26)11-17(12-27-25)24-28-23(31-33-24)20-7-8-21-16(5-6-19(21)15(20)4)10-18-9-14(3)29-30-18/h7-9,11-13,16,29-30H,3,5-6,10H2,1-2,4H3.

What are the key properties of 5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-3-[4-methyl-1-[(5-methylidene-1,2-dihydropyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-5-yl]-1,2,4-oxadiazole?

5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-3-[4-methyl-1-[(5-methylidene-1,2-dihydropyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-5-yl]-1,2,4-oxadiazole has a molecular weight of 463.97 g/mol, XLogP of 5.47, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-3-[4-methyl-1-[(5-methylidene-1,2-dihydropyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-5-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 143065593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).