6-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1'-(2-hydroxy-2-methylpropanoyl)spiro[1H-indole-3,4'-piperidine]-2-one

About 6-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1'-(2-hydroxy-2-methylpropanoyl)spiro[1H-indole-3,4'-piperidine]-2-one

6-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1'-(2-hydroxy-2-methylpropanoyl)spiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 141235084) has the molecular formula C29H29Cl2FN4O4 and a molecular weight of 587.48 g/mol. Its IUPAC name is 6-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1'-(2-hydroxy-2-methylpropanoyl)spiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name	6-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1'-(2-hydroxy-2-methylpropanoyl)spiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID	141235084
Molecular Formula	C29H29Cl2FN4O4
Molecular Weight	587.48 g/mol
Exact Mass	586.15
IUPAC Name	6-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1'-(2-hydroxy-2-methylpropanoyl)spiro[1H-indole-3,4'-piperidine]-2-one
SMILES	C[C@@H](Oc1cc(-c2ccc3c(c2)NC(=O)C32CCN(C(=O)C(C)(C)O)CC2)cnc1N)c1c(Cl)ccc(F)c1Cl
InChI	InChI=1S/C29H29Cl2FN4O4/c1-15(23-19(30)6-7-20(32)24(23)31)40-22-13-17(14-34-25(22)33)16-4-5-18-21(12-16)35-26(37)29(18)8-10-36(11-9-29)27(38)28(2,3)39/h4-7,12-15,39H,8-11H2,1-3H3,(H2,33,34)(H,35,37)/t15-/m1/s1
InChIKey	SZKWVCOJPRILCZ-OAHLLOKOSA-N
XLogP	5.50
TPSA	117.78 Å²
H-Bond Donors	3
H-Bond Acceptors	6
Rotatable Bonds	5
Heavy Atoms	40
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	587.48
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1'-(2-hydroxy-2-methylpropanoyl)spiro[1H-indole-3,4'-piperidine]-2-one?

The IUPAC name of 6-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1'-(2-hydroxy-2-methylpropanoyl)spiro[1H-indole-3,4'-piperidine]-2-one (CID 141235084) is 6-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1'-(2-hydroxy-2-methylpropanoyl)spiro[1H-indole-3,4'-piperidine]-2-one.

What is the SMILES notation for 6-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1'-(2-hydroxy-2-methylpropanoyl)spiro[1H-indole-3,4'-piperidine]-2-one?

The canonical SMILES for 6-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1'-(2-hydroxy-2-methylpropanoyl)spiro[1H-indole-3,4'-piperidine]-2-one is C[C@@H](Oc1cc(-c2ccc3c(c2)NC(=O)C32CCN(C(=O)C(C)(C)O)CC2)cnc1N)c1c(Cl)ccc(F)c1Cl.

What is the InChIKey of 6-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1'-(2-hydroxy-2-methylpropanoyl)spiro[1H-indole-3,4'-piperidine]-2-one?

The InChIKey is SZKWVCOJPRILCZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C29H29Cl2FN4O4/c1-15(23-19(30)6-7-20(32)24(23)31)40-22-13-17(14-34-25(22)33)16-4-5-18-21(12-16)35-26(37)29(18)8-10-36(11-9-29)27(38)28(2,3)39/h4-7,12-15,39H,8-11H2,1-3H3,(H2,33,34)(H,35,37)/t15-/m1/s1.

What are the key properties of 6-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1'-(2-hydroxy-2-methylpropanoyl)spiro[1H-indole-3,4'-piperidine]-2-one?

6-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1'-(2-hydroxy-2-methylpropanoyl)spiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 587.48 g/mol, XLogP of 5.50, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1'-(2-hydroxy-2-methylpropanoyl)spiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 141235084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).