2-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide

C24H17F3N6O2 — CID 58168035

IUPAC2-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1cc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cn1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H17F3N6O2/c25-24(26,27)14-5-7-15(8-6-14)31-20(34)13-33-12-16(11-29-33)30-19-9-10-28-22-21(19)17-3-1-2-4-18(17)23(35)32-22/h1-12H,13H2,(H,31,34)(H2,28,30,32,35)
InChIKeyZSACSWKDACDZNI-UHFFFAOYSA-N
MW478.43 g/mol
LogP4.67
Rot. Bonds5

About 2-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide

2-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 58168035) has the molecular formula C24H17F3N6O2 and a molecular weight of 478.43 g/mol. Its IUPAC name is 2-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID58168035
Molecular FormulaC24H17F3N6O2
Molecular Weight478.43 g/mol
Exact Mass478.14
IUPAC Name2-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1cc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cn1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H17F3N6O2/c25-24(26,27)14-5-7-15(8-6-14)31-20(34)13-33-12-16(11-29-33)30-19-9-10-28-22-21(19)17-3-1-2-4-18(17)23(35)32-22/h1-12H,13H2,(H,31,34)(H2,28,30,32,35)
InChIKeyZSACSWKDACDZNI-UHFFFAOYSA-N
XLogP4.67
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.43
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 58168035) is 2-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(Cn1cc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cn1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ZSACSWKDACDZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N6O2/c25-24(26,27)14-5-7-15(8-6-14)31-20(34)13-33-12-16(11-29-33)30-19-9-10-28-22-21(19)17-3-1-2-4-18(17)23(35)32-22/h1-12H,13H2,(H,31,34)(H2,28,30,32,35).
What are the key properties of 2-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 478.43 g/mol, XLogP of 4.67, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 58168035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).