(5R)-1,1,1-trifluoro-5-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]hexan-3-one

C24H29F3N2O3 — CID 152913393

About (5R)-1,1,1-trifluoro-5-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]hexan-3-one

(5R)-1,1,1-trifluoro-5-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]hexan-3-one (PubChem CID 152913393) has the molecular formula C24H29F3N2O3 and a molecular weight of 450.50 g/mol. Its IUPAC name is (5R)-1,1,1-trifluoro-5-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]hexan-3-one.

Molecular Properties

• Compound Name: (5R)-1,1,1-trifluoro-5-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]hexan-3-one
• PubChem CID: 152913393
• Molecular Formula: C24H29F3N2O3
• Molecular Weight: 450.50 g/mol
• Exact Mass: 450.21
• IUPAC Name: (5R)-1,1,1-trifluoro-5-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]hexan-3-one
• SMILES: CC(C)Oc1cc(N2CCC(Oc3ccc([C@H](C)CC(=O)CC(F)(F)F)cc3)C2)ccn1
• InChI: InChI=1S/C24H29F3N2O3/c1-16(2)31-23-13-19(8-10-28-23)29-11-9-22(15-29)32-21-6-4-18(5-7-21)17(3)12-20(30)14-24(25,26)27/h4-8,10,13,16-17,22H,9,11-12,14-15H2,1-3H3/t17-,22?/m1/s1
• InChIKey: UHQIZTKPGXIBEZ-PLEWWHCXSA-N
• XLogP: 5.54
• TPSA: 51.66 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.50
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5R)-1,1,1-trifluoro-5-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]hexan-3-one?

The IUPAC name of (5R)-1,1,1-trifluoro-5-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]hexan-3-one (CID 152913393) is (5R)-1,1,1-trifluoro-5-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]hexan-3-one.

What is the SMILES notation for (5R)-1,1,1-trifluoro-5-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]hexan-3-one?

The canonical SMILES for (5R)-1,1,1-trifluoro-5-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]hexan-3-one is CC(C)Oc1cc(N2CCC(Oc3ccc([C@H](C)CC(=O)CC(F)(F)F)cc3)C2)ccn1.

What is the InChIKey of (5R)-1,1,1-trifluoro-5-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]hexan-3-one?

The InChIKey is UHQIZTKPGXIBEZ-PLEWWHCXSA-N. The full InChI is InChI=1S/C24H29F3N2O3/c1-16(2)31-23-13-19(8-10-28-23)29-11-9-22(15-29)32-21-6-4-18(5-7-21)17(3)12-20(30)14-24(25,26)27/h4-8,10,13,16-17,22H,9,11-12,14-15H2,1-3H3/t17-,22?/m1/s1.

What are the key properties of (5R)-1,1,1-trifluoro-5-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]hexan-3-one?

(5R)-1,1,1-trifluoro-5-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]hexan-3-one has a molecular weight of 450.50 g/mol, XLogP of 5.54, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-1,1,1-trifluoro-5-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]hexan-3-one is sourced from PubChem (CID 152913393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).