1-[5-(5-chloropyrimidin-2-yl)oxy-2-pyridinyl]-2-(2,4-difluorophenyl)-3-(2,5-dihydrotetrazol-1-yl)-1,1-difluoropropan-2-ol

C19H14ClF4N7O2 — CID 123978845

About 1-[5-(5-chloropyrimidin-2-yl)oxy-2-pyridinyl]-2-(2,4-difluorophenyl)-3-(2,5-dihydrotetrazol-1-yl)-1,1-difluoropropan-2-ol

1-[5-(5-chloropyrimidin-2-yl)oxy-2-pyridinyl]-2-(2,4-difluorophenyl)-3-(2,5-dihydrotetrazol-1-yl)-1,1-difluoropropan-2-ol (PubChem CID 123978845) has the molecular formula C19H14ClF4N7O2 and a molecular weight of 483.81 g/mol. Its IUPAC name is 1-[5-(5-chloropyrimidin-2-yl)oxy-2-pyridinyl]-2-(2,4-difluorophenyl)-3-(2,5-dihydrotetrazol-1-yl)-1,1-difluoropropan-2-ol.

Molecular Properties

• Compound Name: 1-[5-(5-chloropyrimidin-2-yl)oxy-2-pyridinyl]-2-(2,4-difluorophenyl)-3-(2,5-dihydrotetrazol-1-yl)-1,1-difluoropropan-2-ol
• PubChem CID: 123978845
• Molecular Formula: C19H14ClF4N7O2
• Molecular Weight: 483.81 g/mol
• Exact Mass: 483.08
• IUPAC Name: 1-[5-(5-chloropyrimidin-2-yl)oxy-2-pyridinyl]-2-(2,4-difluorophenyl)-3-(2,5-dihydrotetrazol-1-yl)-1,1-difluoropropan-2-ol
• SMILES: OC(CN1CN=NN1)(c1ccc(F)cc1F)C(F)(F)c1ccc(Oc2ncc(Cl)cn2)cn1
• InChI: InChI=1S/C19H14ClF4N7O2/c20-11-6-26-17(27-7-11)33-13-2-4-16(25-8-13)19(23,24)18(32,9-31-10-28-29-30-31)14-3-1-12(21)5-15(14)22/h1-8,32H,9-10H2,(H,28,30)
• InChIKey: ROGWZLCULUWSGL-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 108.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.81
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-chloropyrimidin-2-yl)oxy-2-pyridinyl]-2-(2,4-difluorophenyl)-3-(2,5-dihydrotetrazol-1-yl)-1,1-difluoropropan-2-ol?

The IUPAC name of 1-[5-(5-chloropyrimidin-2-yl)oxy-2-pyridinyl]-2-(2,4-difluorophenyl)-3-(2,5-dihydrotetrazol-1-yl)-1,1-difluoropropan-2-ol (CID 123978845) is 1-[5-(5-chloropyrimidin-2-yl)oxy-2-pyridinyl]-2-(2,4-difluorophenyl)-3-(2,5-dihydrotetrazol-1-yl)-1,1-difluoropropan-2-ol.

What is the SMILES notation for 1-[5-(5-chloropyrimidin-2-yl)oxy-2-pyridinyl]-2-(2,4-difluorophenyl)-3-(2,5-dihydrotetrazol-1-yl)-1,1-difluoropropan-2-ol?

The canonical SMILES for 1-[5-(5-chloropyrimidin-2-yl)oxy-2-pyridinyl]-2-(2,4-difluorophenyl)-3-(2,5-dihydrotetrazol-1-yl)-1,1-difluoropropan-2-ol is OC(CN1CN=NN1)(c1ccc(F)cc1F)C(F)(F)c1ccc(Oc2ncc(Cl)cn2)cn1.

What is the InChIKey of 1-[5-(5-chloropyrimidin-2-yl)oxy-2-pyridinyl]-2-(2,4-difluorophenyl)-3-(2,5-dihydrotetrazol-1-yl)-1,1-difluoropropan-2-ol?

The InChIKey is ROGWZLCULUWSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF4N7O2/c20-11-6-26-17(27-7-11)33-13-2-4-16(25-8-13)19(23,24)18(32,9-31-10-28-29-30-31)14-3-1-12(21)5-15(14)22/h1-8,32H,9-10H2,(H,28,30).

What are the key properties of 1-[5-(5-chloropyrimidin-2-yl)oxy-2-pyridinyl]-2-(2,4-difluorophenyl)-3-(2,5-dihydrotetrazol-1-yl)-1,1-difluoropropan-2-ol?

1-[5-(5-chloropyrimidin-2-yl)oxy-2-pyridinyl]-2-(2,4-difluorophenyl)-3-(2,5-dihydrotetrazol-1-yl)-1,1-difluoropropan-2-ol has a molecular weight of 483.81 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(5-chloropyrimidin-2-yl)oxy-2-pyridinyl]-2-(2,4-difluorophenyl)-3-(2,5-dihydrotetrazol-1-yl)-1,1-difluoropropan-2-ol is sourced from PubChem (CID 123978845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).