N-[5-[9-oxo-10-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]pyrido[3,2-h][1,5]naphthyridin-2-yl]-2-pyridinyl]acetamide

C29H24F3N7O2 — CID 71112973

IUPACN-[5-[9-oxo-10-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]pyrido[3,2-h][1,5]naphthyridin-2-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(N6CCNCC6)c(C(F)(F)F)c5)c4c3n2)cn1
InChIInChI=1S/C29H24F3N7O2/c1-17(40)36-25-8-2-18(15-35-25)22-5-6-23-27(37-22)28-19(16-34-23)3-9-26(41)39(28)20-4-7-24(21(14-20)29(30,31)32)38-12-10-33-11-13-38/h2-9,14-16,33H,10-13H2,1H3,(H,35,36,40)
InChIKeyFUCQOMMTFDEWJE-UHFFFAOYSA-N
MW559.55 g/mol
LogP4.38
Rot. Bonds4

About N-[5-[9-oxo-10-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]pyrido[3,2-h][1,5]naphthyridin-2-yl]-2-pyridinyl]acetamide

N-[5-[9-oxo-10-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]pyrido[3,2-h][1,5]naphthyridin-2-yl]-2-pyridinyl]acetamide (PubChem CID 71112973) has the molecular formula C29H24F3N7O2 and a molecular weight of 559.55 g/mol. Its IUPAC name is N-[5-[9-oxo-10-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]pyrido[3,2-h][1,5]naphthyridin-2-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[9-oxo-10-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]pyrido[3,2-h][1,5]naphthyridin-2-yl]-2-pyridinyl]acetamide
PubChem CID71112973
Molecular FormulaC29H24F3N7O2
Molecular Weight559.55 g/mol
Exact Mass559.19
IUPAC NameN-[5-[9-oxo-10-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]pyrido[3,2-h][1,5]naphthyridin-2-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(N6CCNCC6)c(C(F)(F)F)c5)c4c3n2)cn1
InChIInChI=1S/C29H24F3N7O2/c1-17(40)36-25-8-2-18(15-35-25)22-5-6-23-27(37-22)28-19(16-34-23)3-9-26(41)39(28)20-4-7-24(21(14-20)29(30,31)32)38-12-10-33-11-13-38/h2-9,14-16,33H,10-13H2,1H3,(H,35,36,40)
InChIKeyFUCQOMMTFDEWJE-UHFFFAOYSA-N
XLogP4.38
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.55
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-[5-[9-oxo-10-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]pyrido[3,2-h][1,5]naphthyridin-2-yl]-2-pyridinyl]acetamide 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 N-[5-[9-oxo-10-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]pyrido[3,2-h][1,5]naphthyridin-2-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[9-oxo-10-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]pyrido[3,2-h][1,5]naphthyridin-2-yl]-2-pyridinyl]acetamide (CID 71112973) is N-[5-[9-oxo-10-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]pyrido[3,2-h][1,5]naphthyridin-2-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[9-oxo-10-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]pyrido[3,2-h][1,5]naphthyridin-2-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[9-oxo-10-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]pyrido[3,2-h][1,5]naphthyridin-2-yl]-2-pyridinyl]acetamide is CC(=O)Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(N6CCNCC6)c(C(F)(F)F)c5)c4c3n2)cn1.
What is the InChIKey of N-[5-[9-oxo-10-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]pyrido[3,2-h][1,5]naphthyridin-2-yl]-2-pyridinyl]acetamide?
The InChIKey is FUCQOMMTFDEWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F3N7O2/c1-17(40)36-25-8-2-18(15-35-25)22-5-6-23-27(37-22)28-19(16-34-23)3-9-26(41)39(28)20-4-7-24(21(14-20)29(30,31)32)38-12-10-33-11-13-38/h2-9,14-16,33H,10-13H2,1H3,(H,35,36,40).
What are the key properties of N-[5-[9-oxo-10-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]pyrido[3,2-h][1,5]naphthyridin-2-yl]-2-pyridinyl]acetamide?
N-[5-[9-oxo-10-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]pyrido[3,2-h][1,5]naphthyridin-2-yl]-2-pyridinyl]acetamide has a molecular weight of 559.55 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[9-oxo-10-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]pyrido[3,2-h][1,5]naphthyridin-2-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 71112973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).