6-[bis(4-fluorophenyl)methyl]-N-piperidin-4-ylcinnolin-4-amine

C26H24F2N4 — CID 121471730

IUPAC6-[bis(4-fluorophenyl)methyl]-N-piperidin-4-ylcinnolin-4-amine
SMILESFc1ccc(C(c2ccc(F)cc2)c2ccc3nncc(NC4CCNCC4)c3c2)cc1
InChIInChI=1S/C26H24F2N4/c27-20-6-1-17(2-7-20)26(18-3-8-21(28)9-4-18)19-5-10-24-23(15-19)25(16-30-32-24)31-22-11-13-29-14-12-22/h1-10,15-16,22,26,29H,11-14H2,(H,31,32)
InChIKeyKNCZMPUSMRCEQB-UHFFFAOYSA-N
MW430.50 g/mol
LogP5.25
Rot. Bonds5

About 6-[bis(4-fluorophenyl)methyl]-N-piperidin-4-ylcinnolin-4-amine

6-[bis(4-fluorophenyl)methyl]-N-piperidin-4-ylcinnolin-4-amine (PubChem CID 121471730) has the molecular formula C26H24F2N4 and a molecular weight of 430.50 g/mol. Its IUPAC name is 6-[bis(4-fluorophenyl)methyl]-N-piperidin-4-ylcinnolin-4-amine.

Molecular Properties

Compound Name6-[bis(4-fluorophenyl)methyl]-N-piperidin-4-ylcinnolin-4-amine
PubChem CID121471730
Molecular FormulaC26H24F2N4
Molecular Weight430.50 g/mol
Exact Mass430.20
IUPAC Name6-[bis(4-fluorophenyl)methyl]-N-piperidin-4-ylcinnolin-4-amine
SMILESFc1ccc(C(c2ccc(F)cc2)c2ccc3nncc(NC4CCNCC4)c3c2)cc1
InChIInChI=1S/C26H24F2N4/c27-20-6-1-17(2-7-20)26(18-3-8-21(28)9-4-18)19-5-10-24-23(15-19)25(16-30-32-24)31-22-11-13-29-14-12-22/h1-10,15-16,22,26,29H,11-14H2,(H,31,32)
InChIKeyKNCZMPUSMRCEQB-UHFFFAOYSA-N
XLogP5.25
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.50
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[bis(4-fluorophenyl)methyl]-N-piperidin-4-ylcinnolin-4-amine?
The IUPAC name of 6-[bis(4-fluorophenyl)methyl]-N-piperidin-4-ylcinnolin-4-amine (CID 121471730) is 6-[bis(4-fluorophenyl)methyl]-N-piperidin-4-ylcinnolin-4-amine.
What is the SMILES notation for 6-[bis(4-fluorophenyl)methyl]-N-piperidin-4-ylcinnolin-4-amine?
The canonical SMILES for 6-[bis(4-fluorophenyl)methyl]-N-piperidin-4-ylcinnolin-4-amine is Fc1ccc(C(c2ccc(F)cc2)c2ccc3nncc(NC4CCNCC4)c3c2)cc1.
What is the InChIKey of 6-[bis(4-fluorophenyl)methyl]-N-piperidin-4-ylcinnolin-4-amine?
The InChIKey is KNCZMPUSMRCEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N4/c27-20-6-1-17(2-7-20)26(18-3-8-21(28)9-4-18)19-5-10-24-23(15-19)25(16-30-32-24)31-22-11-13-29-14-12-22/h1-10,15-16,22,26,29H,11-14H2,(H,31,32).
What are the key properties of 6-[bis(4-fluorophenyl)methyl]-N-piperidin-4-ylcinnolin-4-amine?
6-[bis(4-fluorophenyl)methyl]-N-piperidin-4-ylcinnolin-4-amine has a molecular weight of 430.50 g/mol, XLogP of 5.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(4-fluorophenyl)methyl]-N-piperidin-4-ylcinnolin-4-amine is sourced from PubChem (CID 121471730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).