1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-[3-(2-fluorophenyl)-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropan-2-one

C26H21F4N3O2 — CID 160810478

About 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-[3-(2-fluorophenyl)-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropan-2-one

1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-[3-(2-fluorophenyl)-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropan-2-one (PubChem CID 160810478) has the molecular formula C26H21F4N3O2 and a molecular weight of 483.47 g/mol. Its IUPAC name is 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-[3-(2-fluorophenyl)-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropan-2-one.

Molecular Properties

• Compound Name: 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-[3-(2-fluorophenyl)-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropan-2-one
• PubChem CID: 160810478
• Molecular Formula: C26H21F4N3O2
• Molecular Weight: 483.47 g/mol
• Exact Mass: 483.16
• IUPAC Name: 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-[3-(2-fluorophenyl)-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropan-2-one
• SMILES: Cn1nc(-c2ccccc2F)c2c(C(F)(F)F)cc(OCC(=O)C[C@H]3CCc4ccccc43)nc21
• InChI: InChI=1S/C26H21F4N3O2/c1-33-25-23(24(32-33)19-8-4-5-9-21(19)27)20(26(28,29)30)13-22(31-25)35-14-17(34)12-16-11-10-15-6-2-3-7-18(15)16/h2-9,13,16H,10-12,14H2,1H3/t16-/m1/s1
• InChIKey: SEGGLXRVFPGQTQ-MRXNPFEDSA-N
• XLogP: 5.86
• TPSA: 57.01 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.47
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-[3-(2-fluorophenyl)-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropan-2-one?

The IUPAC name of 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-[3-(2-fluorophenyl)-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropan-2-one (CID 160810478) is 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-[3-(2-fluorophenyl)-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropan-2-one.

What is the SMILES notation for 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-[3-(2-fluorophenyl)-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropan-2-one?

The canonical SMILES for 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-[3-(2-fluorophenyl)-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropan-2-one is Cn1nc(-c2ccccc2F)c2c(C(F)(F)F)cc(OCC(=O)C[C@H]3CCc4ccccc43)nc21.

What is the InChIKey of 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-[3-(2-fluorophenyl)-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropan-2-one?

The InChIKey is SEGGLXRVFPGQTQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C26H21F4N3O2/c1-33-25-23(24(32-33)19-8-4-5-9-21(19)27)20(26(28,29)30)13-22(31-25)35-14-17(34)12-16-11-10-15-6-2-3-7-18(15)16/h2-9,13,16H,10-12,14H2,1H3/t16-/m1/s1.

What are the key properties of 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-[3-(2-fluorophenyl)-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropan-2-one?

1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-[3-(2-fluorophenyl)-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropan-2-one has a molecular weight of 483.47 g/mol, XLogP of 5.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-[3-(2-fluorophenyl)-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropan-2-one is sourced from PubChem (CID 160810478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).