[1-[5-(3-cyanophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]methyl N-propan-2-ylcarbamate

C22H23N5O3 — CID 46830922

About [1-[5-(3-cyanophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]methyl N-propan-2-ylcarbamate

[1-[5-(3-cyanophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]methyl N-propan-2-ylcarbamate (PubChem CID 46830922) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is [1-[5-(3-cyanophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]methyl N-propan-2-ylcarbamate.

Molecular Properties

• Compound Name: [1-[5-(3-cyanophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]methyl N-propan-2-ylcarbamate
• PubChem CID: 46830922
• Molecular Formula: C22H23N5O3
• Molecular Weight: 405.46 g/mol
• Exact Mass: 405.18
• IUPAC Name: [1-[5-(3-cyanophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]methyl N-propan-2-ylcarbamate
• SMILES: COc1ccc(-c2cccc(C#N)c2)n2nc(C3(COC(=O)NC(C)C)CC3)nc12
• InChI: InChI=1S/C22H23N5O3/c1-14(2)24-21(28)30-13-22(9-10-22)20-25-19-18(29-3)8-7-17(27(19)26-20)16-6-4-5-15(11-16)12-23/h4-8,11,14H,9-10,13H2,1-3H3,(H,24,28)
• InChIKey: UPBPHFQXBCMCKG-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 101.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.46
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of [1-[5-(3-cyanophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]methyl N-propan-2-ylcarbamate (CID 46830922) is [1-[5-(3-cyanophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]methyl N-propan-2-ylcarbamate.

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

The canonical SMILES for [1-[5-(3-cyanophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]methyl N-propan-2-ylcarbamate is COc1ccc(-c2cccc(C#N)c2)n2nc(C3(COC(=O)NC(C)C)CC3)nc12.

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

The InChIKey is UPBPHFQXBCMCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-14(2)24-21(28)30-13-22(9-10-22)20-25-19-18(29-3)8-7-17(27(19)26-20)16-6-4-5-15(11-16)12-23/h4-8,11,14H,9-10,13H2,1-3H3,(H,24,28).

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

[1-[5-(3-cyanophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]methyl N-propan-2-ylcarbamate has a molecular weight of 405.46 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[5-(3-cyanophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]methyl N-propan-2-ylcarbamate is sourced from PubChem (CID 46830922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).