5-cyclopropyl-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine-3-carbonitrile

C22H20F2N4O2 — CID 118430643

About 5-cyclopropyl-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine-3-carbonitrile

5-cyclopropyl-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine-3-carbonitrile (PubChem CID 118430643) has the molecular formula C22H20F2N4O2 and a molecular weight of 410.42 g/mol. Its IUPAC name is 5-cyclopropyl-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 5-cyclopropyl-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine-3-carbonitrile
• PubChem CID: 118430643
• Molecular Formula: C22H20F2N4O2
• Molecular Weight: 410.42 g/mol
• Exact Mass: 410.16
• IUPAC Name: 5-cyclopropyl-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine-3-carbonitrile
• SMILES: Cc1c(Oc2c(F)cccc2F)c(OC(C)C)nn1-c1ncc(C2CC2)cc1C#N
• InChI: InChI=1S/C22H20F2N4O2/c1-12(2)29-22-19(30-20-17(23)5-4-6-18(20)24)13(3)28(27-22)21-15(10-25)9-16(11-26-21)14-7-8-14/h4-6,9,11-12,14H,7-8H2,1-3H3
• InChIKey: AGMRIIWCCCMAFW-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 72.96 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.42
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine-3-carbonitrile?

The IUPAC name of 5-cyclopropyl-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine-3-carbonitrile (CID 118430643) is 5-cyclopropyl-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine-3-carbonitrile.

What is the SMILES notation for 5-cyclopropyl-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine-3-carbonitrile?

The canonical SMILES for 5-cyclopropyl-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine-3-carbonitrile is Cc1c(Oc2c(F)cccc2F)c(OC(C)C)nn1-c1ncc(C2CC2)cc1C#N.

What is the InChIKey of 5-cyclopropyl-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine-3-carbonitrile?

The InChIKey is AGMRIIWCCCMAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O2/c1-12(2)29-22-19(30-20-17(23)5-4-6-18(20)24)13(3)28(27-22)21-15(10-25)9-16(11-26-21)14-7-8-14/h4-6,9,11-12,14H,7-8H2,1-3H3.

What are the key properties of 5-cyclopropyl-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine-3-carbonitrile?

5-cyclopropyl-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine-3-carbonitrile has a molecular weight of 410.42 g/mol, XLogP of 5.18, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 118430643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).