5-[2-[[5-(4,4-difluoropiperidine-1-carbonyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile

C25H26F2N8O2 — CID 145427868

About 5-[2-[[5-(4,4-difluoropiperidine-1-carbonyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile

5-[2-[[5-(4,4-difluoropiperidine-1-carbonyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile (PubChem CID 145427868) has the molecular formula C25H26F2N8O2 and a molecular weight of 508.53 g/mol. Its IUPAC name is 5-[2-[[5-(4,4-difluoropiperidine-1-carbonyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile.

Molecular Properties

• Compound Name: 5-[2-[[5-(4,4-difluoropiperidine-1-carbonyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile
• PubChem CID: 145427868
• Molecular Formula: C25H26F2N8O2
• Molecular Weight: 508.53 g/mol
• Exact Mass: 508.21
• IUPAC Name: 5-[2-[[5-(4,4-difluoropiperidine-1-carbonyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile
• SMILES: Cn1nc(Nc2nccc(-c3cc(C#N)c4c(c3)C(C)(CO)CN4)n2)cc1C(=O)N1CCC(F)(F)CC1
• InChI: InChI=1S/C25H26F2N8O2/c1-24(14-36)13-30-21-16(12-28)9-15(10-17(21)24)18-3-6-29-23(31-18)32-20-11-19(34(2)33-20)22(37)35-7-4-25(26,27)5-8-35/h3,6,9-11,30,36H,4-5,7-8,13-14H2,1-2H3,(H,29,31,32,33)
• InChIKey: GYTSGEKYPOARAQ-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 131.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.53
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 5-[2-[[5-(4,4-difluoropiperidine-1-carbonyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile (CID 145427868) is 5-[2-[[5-(4,4-difluoropiperidine-1-carbonyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile.

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

The canonical SMILES for 5-[2-[[5-(4,4-difluoropiperidine-1-carbonyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile is Cn1nc(Nc2nccc(-c3cc(C#N)c4c(c3)C(C)(CO)CN4)n2)cc1C(=O)N1CCC(F)(F)CC1.

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

The InChIKey is GYTSGEKYPOARAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N8O2/c1-24(14-36)13-30-21-16(12-28)9-15(10-17(21)24)18-3-6-29-23(31-18)32-20-11-19(34(2)33-20)22(37)35-7-4-25(26,27)5-8-35/h3,6,9-11,30,36H,4-5,7-8,13-14H2,1-2H3,(H,29,31,32,33).

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

5-[2-[[5-(4,4-difluoropiperidine-1-carbonyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile has a molecular weight of 508.53 g/mol, XLogP of 3.04, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[[5-(4,4-difluoropiperidine-1-carbonyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile is sourced from PubChem (CID 145427868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).