N-[(4-chloro-6-fluoro-2-pyridinyl)methyl]-2-[4-[(4-chloro-6-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride

C27H28Cl3F2N5O — CID 142778648

About N-[(4-chloro-6-fluoro-2-pyridinyl)methyl]-2-[4-[(4-chloro-6-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride

N-[(4-chloro-6-fluoro-2-pyridinyl)methyl]-2-[4-[(4-chloro-6-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride (PubChem CID 142778648) has the molecular formula C27H28Cl3F2N5O and a molecular weight of 582.91 g/mol. Its IUPAC name is N-[(4-chloro-6-fluoro-2-pyridinyl)methyl]-2-[4-[(4-chloro-6-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-[(4-chloro-6-fluoro-2-pyridinyl)methyl]-2-[4-[(4-chloro-6-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride
• PubChem CID: 142778648
• Molecular Formula: C27H28Cl3F2N5O
• Molecular Weight: 582.91 g/mol
• Exact Mass: 581.13
• IUPAC Name: N-[(4-chloro-6-fluoro-2-pyridinyl)methyl]-2-[4-[(4-chloro-6-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride
• SMILES: CN(Cc1cc(Cl)cc(F)n1)C(=O)C1(N2CCN(Cc3cc(Cl)cc(F)n3)CC2)Cc2ccccc2C1.Cl
• InChI: InChI=1S/C27H27Cl2F2N5O.ClH/c1-34(16-22-10-20(28)12-24(30)32-22)26(37)27(14-18-4-2-3-5-19(18)15-27)36-8-6-35(7-9-36)17-23-11-21(29)13-25(31)33-23;/h2-5,10-13H,6-9,14-17H2,1H3;1H
• InChIKey: FEACTULJKRTHEK-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 52.57 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	582.91
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-6-fluoro-2-pyridinyl)methyl]-2-[4-[(4-chloro-6-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride?

The IUPAC name of N-[(4-chloro-6-fluoro-2-pyridinyl)methyl]-2-[4-[(4-chloro-6-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride (CID 142778648) is N-[(4-chloro-6-fluoro-2-pyridinyl)methyl]-2-[4-[(4-chloro-6-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride.

What is the SMILES notation for N-[(4-chloro-6-fluoro-2-pyridinyl)methyl]-2-[4-[(4-chloro-6-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride?

The canonical SMILES for N-[(4-chloro-6-fluoro-2-pyridinyl)methyl]-2-[4-[(4-chloro-6-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride is CN(Cc1cc(Cl)cc(F)n1)C(=O)C1(N2CCN(Cc3cc(Cl)cc(F)n3)CC2)Cc2ccccc2C1.Cl.

What is the InChIKey of N-[(4-chloro-6-fluoro-2-pyridinyl)methyl]-2-[4-[(4-chloro-6-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride?

The InChIKey is FEACTULJKRTHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27Cl2F2N5O.ClH/c1-34(16-22-10-20(28)12-24(30)32-22)26(37)27(14-18-4-2-3-5-19(18)15-27)36-8-6-35(7-9-36)17-23-11-21(29)13-25(31)33-23;/h2-5,10-13H,6-9,14-17H2,1H3;1H.

What are the key properties of N-[(4-chloro-6-fluoro-2-pyridinyl)methyl]-2-[4-[(4-chloro-6-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride?

N-[(4-chloro-6-fluoro-2-pyridinyl)methyl]-2-[4-[(4-chloro-6-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride has a molecular weight of 582.91 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-chloro-6-fluoro-2-pyridinyl)methyl]-2-[4-[(4-chloro-6-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride is sourced from PubChem (CID 142778648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).