[1-[5-(4-butan-2-yl-3-methoxyphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]methyl N,N-diethylcarbamate

C27H36N4O4 — CID 91479624

About [1-[5-(4-butan-2-yl-3-methoxyphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]methyl N,N-diethylcarbamate

[1-[5-(4-butan-2-yl-3-methoxyphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]methyl N,N-diethylcarbamate (PubChem CID 91479624) has the molecular formula C27H36N4O4 and a molecular weight of 480.61 g/mol. Its IUPAC name is [1-[5-(4-butan-2-yl-3-methoxyphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]methyl N,N-diethylcarbamate.

Molecular Properties

• Compound Name: [1-[5-(4-butan-2-yl-3-methoxyphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]methyl N,N-diethylcarbamate
• PubChem CID: 91479624
• Molecular Formula: C27H36N4O4
• Molecular Weight: 480.61 g/mol
• Exact Mass: 480.27
• IUPAC Name: [1-[5-(4-butan-2-yl-3-methoxyphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]methyl N,N-diethylcarbamate
• SMILES: CCC(C)c1ccc(-c2ccc(OC)c3nc(C4(COC(=O)N(CC)CC)CC4)nn23)cc1OC
• InChI: InChI=1S/C27H36N4O4/c1-7-18(4)20-11-10-19(16-23(20)34-6)21-12-13-22(33-5)24-28-25(29-31(21)24)27(14-15-27)17-35-26(32)30(8-2)9-3/h10-13,16,18H,7-9,14-15,17H2,1-6H3
• InChIKey: PVJPUOOPCVIDGI-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 78.19 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.61
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [1-[5-(4-butan-2-yl-3-methoxyphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]methyl N,N-diethylcarbamate?

The IUPAC name of [1-[5-(4-butan-2-yl-3-methoxyphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]methyl N,N-diethylcarbamate (CID 91479624) is [1-[5-(4-butan-2-yl-3-methoxyphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]methyl N,N-diethylcarbamate.

What is the SMILES notation for [1-[5-(4-butan-2-yl-3-methoxyphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]methyl N,N-diethylcarbamate?

The canonical SMILES for [1-[5-(4-butan-2-yl-3-methoxyphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]methyl N,N-diethylcarbamate is CCC(C)c1ccc(-c2ccc(OC)c3nc(C4(COC(=O)N(CC)CC)CC4)nn23)cc1OC.

What is the InChIKey of [1-[5-(4-butan-2-yl-3-methoxyphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]methyl N,N-diethylcarbamate?

The InChIKey is PVJPUOOPCVIDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O4/c1-7-18(4)20-11-10-19(16-23(20)34-6)21-12-13-22(33-5)24-28-25(29-31(21)24)27(14-15-27)17-35-26(32)30(8-2)9-3/h10-13,16,18H,7-9,14-15,17H2,1-6H3.

What are the key properties of [1-[5-(4-butan-2-yl-3-methoxyphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]methyl N,N-diethylcarbamate?

[1-[5-(4-butan-2-yl-3-methoxyphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]methyl N,N-diethylcarbamate has a molecular weight of 480.61 g/mol, XLogP of 5.44, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[5-(4-butan-2-yl-3-methoxyphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]methyl N,N-diethylcarbamate is sourced from PubChem (CID 91479624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).