potassium;2-[(3R)-4-chloro-6-[[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid;acetate

C26H26ClF3KNO6 — CID 172717433

About potassium;2-[(3R)-4-chloro-6-[[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid;acetate

potassium;2-[(3R)-4-chloro-6-[[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid;acetate (PubChem CID 172717433) has the molecular formula C26H26ClF3KNO6 and a molecular weight of 580.04 g/mol. Its IUPAC name is potassium;2-[(3R)-4-chloro-6-[[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid;acetate.

Molecular Properties

• Compound Name: potassium;2-[(3R)-4-chloro-6-[[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid;acetate
• PubChem CID: 172717433
• Molecular Formula: C26H26ClF3KNO6
• Molecular Weight: 580.04 g/mol
• Exact Mass: 579.10
• IUPAC Name: potassium;2-[(3R)-4-chloro-6-[[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid;acetate
• SMILES: CC(=O)[O-].CC(C)Oc1ccc(COc2ccc3c(c2)c(Cl)c2n3CC[C@@H]2CC(=O)O)cc1C(F)(F)F.[K+]
• InChI: InChI=1S/C24H23ClF3NO4.C2H4O2.K/c1-13(2)33-20-6-3-14(9-18(20)24(26,27)28)12-32-16-4-5-19-17(11-16)22(25)23-15(10-21(30)31)7-8-29(19)23;1-2(3)4;/h3-6,9,11,13,15H,7-8,10,12H2,1-2H3,(H,30,31);1H3,(H,3,4);/q;;+1/p-1/t15-;;/m1../s1
• InChIKey: GBARLMHZAQPYOA-QCUBGVIVSA-M
• XLogP: 2.40
• TPSA: 100.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	580.04
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of potassium;2-[(3R)-4-chloro-6-[[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid;acetate?

The IUPAC name of potassium;2-[(3R)-4-chloro-6-[[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid;acetate (CID 172717433) is potassium;2-[(3R)-4-chloro-6-[[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid;acetate.

What is the SMILES notation for potassium;2-[(3R)-4-chloro-6-[[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid;acetate?

The canonical SMILES for potassium;2-[(3R)-4-chloro-6-[[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid;acetate is CC(=O)[O-].CC(C)Oc1ccc(COc2ccc3c(c2)c(Cl)c2n3CC[C@@H]2CC(=O)O)cc1C(F)(F)F.[K+].

What is the InChIKey of potassium;2-[(3R)-4-chloro-6-[[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid;acetate?

The InChIKey is GBARLMHZAQPYOA-QCUBGVIVSA-M. The full InChI is InChI=1S/C24H23ClF3NO4.C2H4O2.K/c1-13(2)33-20-6-3-14(9-18(20)24(26,27)28)12-32-16-4-5-19-17(11-16)22(25)23-15(10-21(30)31)7-8-29(19)23;1-2(3)4;/h3-6,9,11,13,15H,7-8,10,12H2,1-2H3,(H,30,31);1H3,(H,3,4);/q;;+1/p-1/t15-;;/m1../s1.

What are the key properties of potassium;2-[(3R)-4-chloro-6-[[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid;acetate?

potassium;2-[(3R)-4-chloro-6-[[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid;acetate has a molecular weight of 580.04 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;2-[(3R)-4-chloro-6-[[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid;acetate is sourced from PubChem (CID 172717433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).