2-methoxyethyl N-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]carbamate

C22H19F2N7O3 — CID 58179951

About 2-methoxyethyl N-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]carbamate

2-methoxyethyl N-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]carbamate (PubChem CID 58179951) has the molecular formula C22H19F2N7O3 and a molecular weight of 467.44 g/mol. Its IUPAC name is 2-methoxyethyl N-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]carbamate.

Molecular Properties

• Compound Name: 2-methoxyethyl N-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]carbamate
• PubChem CID: 58179951
• Molecular Formula: C22H19F2N7O3
• Molecular Weight: 467.44 g/mol
• Exact Mass: 467.15
• IUPAC Name: 2-methoxyethyl N-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]carbamate
• SMILES: COCCOC(=O)Nc1ccc(-c2cnc(N)c(-c3nnnn3-c3cccc(F)c3F)c2)cc1
• InChI: InChI=1S/C22H19F2N7O3/c1-33-9-10-34-22(32)27-15-7-5-13(6-8-15)14-11-16(20(25)26-12-14)21-28-29-30-31(21)18-4-2-3-17(23)19(18)24/h2-8,11-12H,9-10H2,1H3,(H2,25,26)(H,27,32)
• InChIKey: CSIHBTBWNBTORG-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 130.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.44
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl N-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]carbamate?

The IUPAC name of 2-methoxyethyl N-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]carbamate (CID 58179951) is 2-methoxyethyl N-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]carbamate.

What is the SMILES notation for 2-methoxyethyl N-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]carbamate?

The canonical SMILES for 2-methoxyethyl N-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]carbamate is COCCOC(=O)Nc1ccc(-c2cnc(N)c(-c3nnnn3-c3cccc(F)c3F)c2)cc1.

What is the InChIKey of 2-methoxyethyl N-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]carbamate?

The InChIKey is CSIHBTBWNBTORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N7O3/c1-33-9-10-34-22(32)27-15-7-5-13(6-8-15)14-11-16(20(25)26-12-14)21-28-29-30-31(21)18-4-2-3-17(23)19(18)24/h2-8,11-12H,9-10H2,1H3,(H2,25,26)(H,27,32).

What are the key properties of 2-methoxyethyl N-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]carbamate?

2-methoxyethyl N-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]carbamate has a molecular weight of 467.44 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxyethyl N-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]carbamate is sourced from PubChem (CID 58179951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).