1-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]anilino]-3,3-dimethylbutan-1-ol

C24H25F2N7O — CID 143548758

About 1-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]anilino]-3,3-dimethylbutan-1-ol

1-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]anilino]-3,3-dimethylbutan-1-ol (PubChem CID 143548758) has the molecular formula C24H25F2N7O and a molecular weight of 465.51 g/mol. Its IUPAC name is 1-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]anilino]-3,3-dimethylbutan-1-ol.

Molecular Properties

• Compound Name: 1-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]anilino]-3,3-dimethylbutan-1-ol
• PubChem CID: 143548758
• Molecular Formula: C24H25F2N7O
• Molecular Weight: 465.51 g/mol
• Exact Mass: 465.21
• IUPAC Name: 1-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]anilino]-3,3-dimethylbutan-1-ol
• SMILES: CC(C)(C)CC(O)Nc1ccc(-c2cnc(N)c(-c3nnnn3-c3cccc(F)c3F)c2)cc1
• InChI: InChI=1S/C24H25F2N7O/c1-24(2,3)12-20(34)29-16-9-7-14(8-10-16)15-11-17(22(27)28-13-15)23-30-31-32-33(23)19-6-4-5-18(25)21(19)26/h4-11,13,20,29,34H,12H2,1-3H3,(H2,27,28)
• InChIKey: MZVCPIUBXNUOLD-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 114.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.51
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]anilino]-3,3-dimethylbutan-1-ol?

The IUPAC name of 1-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]anilino]-3,3-dimethylbutan-1-ol (CID 143548758) is 1-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]anilino]-3,3-dimethylbutan-1-ol.

What is the SMILES notation for 1-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]anilino]-3,3-dimethylbutan-1-ol?

The canonical SMILES for 1-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]anilino]-3,3-dimethylbutan-1-ol is CC(C)(C)CC(O)Nc1ccc(-c2cnc(N)c(-c3nnnn3-c3cccc(F)c3F)c2)cc1.

What is the InChIKey of 1-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]anilino]-3,3-dimethylbutan-1-ol?

The InChIKey is MZVCPIUBXNUOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N7O/c1-24(2,3)12-20(34)29-16-9-7-14(8-10-16)15-11-17(22(27)28-13-15)23-30-31-32-33(23)19-6-4-5-18(25)21(19)26/h4-11,13,20,29,34H,12H2,1-3H3,(H2,27,28).

What are the key properties of 1-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]anilino]-3,3-dimethylbutan-1-ol?

1-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]anilino]-3,3-dimethylbutan-1-ol has a molecular weight of 465.51 g/mol, XLogP of 4.42, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]anilino]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 143548758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).