5-[2-[[1-(2,2-difluoroethyl)-3-propan-2-yloxypyrazol-4-yl]amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile

C23H25F2N7O2 — CID 146572459

About 5-[2-[[1-(2,2-difluoroethyl)-3-propan-2-yloxypyrazol-4-yl]amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile

5-[2-[[1-(2,2-difluoroethyl)-3-propan-2-yloxypyrazol-4-yl]amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile (PubChem CID 146572459) has the molecular formula C23H25F2N7O2 and a molecular weight of 469.50 g/mol. Its IUPAC name is 5-[2-[[1-(2,2-difluoroethyl)-3-propan-2-yloxypyrazol-4-yl]amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile.

Molecular Properties

• Compound Name: 5-[2-[[1-(2,2-difluoroethyl)-3-propan-2-yloxypyrazol-4-yl]amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile
• PubChem CID: 146572459
• Molecular Formula: C23H25F2N7O2
• Molecular Weight: 469.50 g/mol
• Exact Mass: 469.20
• IUPAC Name: 5-[2-[[1-(2,2-difluoroethyl)-3-propan-2-yloxypyrazol-4-yl]amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile
• SMILES: CC(C)Oc1nn(CC(F)F)cc1Nc1nccc(-c2cc(C#N)c3c(c2)C(C)(CO)CN3)n1
• InChI: InChI=1S/C23H25F2N7O2/c1-13(2)34-21-18(9-32(31-21)10-19(24)25)30-22-27-5-4-17(29-22)14-6-15(8-26)20-16(7-14)23(3,12-33)11-28-20/h4-7,9,13,19,28,33H,10-12H2,1-3H3,(H,27,29,30)
• InChIKey: OELBPBAZVLOEGF-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 120.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.50
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[2-[[1-(2,2-difluoroethyl)-3-propan-2-yloxypyrazol-4-yl]amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile?

The IUPAC name of 5-[2-[[1-(2,2-difluoroethyl)-3-propan-2-yloxypyrazol-4-yl]amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile (CID 146572459) is 5-[2-[[1-(2,2-difluoroethyl)-3-propan-2-yloxypyrazol-4-yl]amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile.

What is the SMILES notation for 5-[2-[[1-(2,2-difluoroethyl)-3-propan-2-yloxypyrazol-4-yl]amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile?

The canonical SMILES for 5-[2-[[1-(2,2-difluoroethyl)-3-propan-2-yloxypyrazol-4-yl]amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile is CC(C)Oc1nn(CC(F)F)cc1Nc1nccc(-c2cc(C#N)c3c(c2)C(C)(CO)CN3)n1.

What is the InChIKey of 5-[2-[[1-(2,2-difluoroethyl)-3-propan-2-yloxypyrazol-4-yl]amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile?

The InChIKey is OELBPBAZVLOEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N7O2/c1-13(2)34-21-18(9-32(31-21)10-19(24)25)30-22-27-5-4-17(29-22)14-6-15(8-26)20-16(7-14)23(3,12-33)11-28-20/h4-7,9,13,19,28,33H,10-12H2,1-3H3,(H,27,29,30).

What are the key properties of 5-[2-[[1-(2,2-difluoroethyl)-3-propan-2-yloxypyrazol-4-yl]amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile?

5-[2-[[1-(2,2-difluoroethyl)-3-propan-2-yloxypyrazol-4-yl]amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile has a molecular weight of 469.50 g/mol, XLogP of 3.68, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[[1-(2,2-difluoroethyl)-3-propan-2-yloxypyrazol-4-yl]amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile is sourced from PubChem (CID 146572459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).