8-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-7-cyano-N,N,5-trimethyl-6-oxo-1,5-naphthyridine-2-carboxamide

C30H28F2N6O2 — CID 150540665

IUPAC8-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-7-cyano-N,N,5-trimethyl-6-oxo-1,5-naphthyridine-2-carboxamide
SMILESCN(C)C(=O)c1ccc2c(n1)c(N1CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(C#N)c(=O)n2C
InChIInChI=1S/C30H28F2N6O2/c1-35(2)30(40)24-12-13-25-26(34-24)28(23(18-33)29(39)36(25)3)38-16-14-37(15-17-38)27(19-4-8-21(31)9-5-19)20-6-10-22(32)11-7-20/h4-13,27H,14-17H2,1-3H3
InChIKeyIFULTEMIXOYMIW-UHFFFAOYSA-N
MW542.59 g/mol
LogP3.70
Rot. Bonds5

About 8-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-7-cyano-N,N,5-trimethyl-6-oxo-1,5-naphthyridine-2-carboxamide

8-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-7-cyano-N,N,5-trimethyl-6-oxo-1,5-naphthyridine-2-carboxamide (PubChem CID 150540665) has the molecular formula C30H28F2N6O2 and a molecular weight of 542.59 g/mol. Its IUPAC name is 8-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-7-cyano-N,N,5-trimethyl-6-oxo-1,5-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name8-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-7-cyano-N,N,5-trimethyl-6-oxo-1,5-naphthyridine-2-carboxamide
PubChem CID150540665
Molecular FormulaC30H28F2N6O2
Molecular Weight542.59 g/mol
Exact Mass542.22
IUPAC Name8-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-7-cyano-N,N,5-trimethyl-6-oxo-1,5-naphthyridine-2-carboxamide
SMILESCN(C)C(=O)c1ccc2c(n1)c(N1CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(C#N)c(=O)n2C
InChIInChI=1S/C30H28F2N6O2/c1-35(2)30(40)24-12-13-25-26(34-24)28(23(18-33)29(39)36(25)3)38-16-14-37(15-17-38)27(19-4-8-21(31)9-5-19)20-6-10-22(32)11-7-20/h4-13,27H,14-17H2,1-3H3
InChIKeyIFULTEMIXOYMIW-UHFFFAOYSA-N
XLogP3.70
TPSA85.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.59
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-7-cyano-N,N,5-trimethyl-6-oxo-1,5-naphthyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-7-cyano-N,N,5-trimethyl-6-oxo-1,5-naphthyridine-2-carboxamide?
The IUPAC name of 8-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-7-cyano-N,N,5-trimethyl-6-oxo-1,5-naphthyridine-2-carboxamide (CID 150540665) is 8-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-7-cyano-N,N,5-trimethyl-6-oxo-1,5-naphthyridine-2-carboxamide.
What is the SMILES notation for 8-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-7-cyano-N,N,5-trimethyl-6-oxo-1,5-naphthyridine-2-carboxamide?
The canonical SMILES for 8-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-7-cyano-N,N,5-trimethyl-6-oxo-1,5-naphthyridine-2-carboxamide is CN(C)C(=O)c1ccc2c(n1)c(N1CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(C#N)c(=O)n2C.
What is the InChIKey of 8-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-7-cyano-N,N,5-trimethyl-6-oxo-1,5-naphthyridine-2-carboxamide?
The InChIKey is IFULTEMIXOYMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F2N6O2/c1-35(2)30(40)24-12-13-25-26(34-24)28(23(18-33)29(39)36(25)3)38-16-14-37(15-17-38)27(19-4-8-21(31)9-5-19)20-6-10-22(32)11-7-20/h4-13,27H,14-17H2,1-3H3.
What are the key properties of 8-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-7-cyano-N,N,5-trimethyl-6-oxo-1,5-naphthyridine-2-carboxamide?
8-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-7-cyano-N,N,5-trimethyl-6-oxo-1,5-naphthyridine-2-carboxamide has a molecular weight of 542.59 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-7-cyano-N,N,5-trimethyl-6-oxo-1,5-naphthyridine-2-carboxamide is sourced from PubChem (CID 150540665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).