3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-propan-2-ylphenyl)pyridin-2-amine

C21H18F2N6 — CID 58179707

About 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-propan-2-ylphenyl)pyridin-2-amine

3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-propan-2-ylphenyl)pyridin-2-amine (PubChem CID 58179707) has the molecular formula C21H18F2N6 and a molecular weight of 392.41 g/mol. Its IUPAC name is 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-propan-2-ylphenyl)pyridin-2-amine.

Molecular Properties

• Compound Name: 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-propan-2-ylphenyl)pyridin-2-amine
• PubChem CID: 58179707
• Molecular Formula: C21H18F2N6
• Molecular Weight: 392.41 g/mol
• Exact Mass: 392.16
• IUPAC Name: 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-propan-2-ylphenyl)pyridin-2-amine
• SMILES: CC(C)c1cccc(-c2cnc(N)c(-c3nnnn3-c3cccc(F)c3F)c2)c1
• InChI: InChI=1S/C21H18F2N6/c1-12(2)13-5-3-6-14(9-13)15-10-16(20(24)25-11-15)21-26-27-28-29(21)18-8-4-7-17(22)19(18)23/h3-12H,1-2H3,(H2,24,25)
• InChIKey: CLEBUICYVZGAFZ-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 82.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.41
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-propan-2-ylphenyl)pyridin-2-amine?

The IUPAC name of 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-propan-2-ylphenyl)pyridin-2-amine (CID 58179707) is 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-propan-2-ylphenyl)pyridin-2-amine.

What is the SMILES notation for 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-propan-2-ylphenyl)pyridin-2-amine?

The canonical SMILES for 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-propan-2-ylphenyl)pyridin-2-amine is CC(C)c1cccc(-c2cnc(N)c(-c3nnnn3-c3cccc(F)c3F)c2)c1.

What is the InChIKey of 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-propan-2-ylphenyl)pyridin-2-amine?

The InChIKey is CLEBUICYVZGAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N6/c1-12(2)13-5-3-6-14(9-13)15-10-16(20(24)25-11-15)21-26-27-28-29(21)18-8-4-7-17(22)19(18)23/h3-12H,1-2H3,(H2,24,25).

What are the key properties of 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-propan-2-ylphenyl)pyridin-2-amine?

3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-propan-2-ylphenyl)pyridin-2-amine has a molecular weight of 392.41 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-propan-2-ylphenyl)pyridin-2-amine is sourced from PubChem (CID 58179707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).