N-[2-chloro-5-(2-oxo-9-pyrazol-1-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]acetamide

C23H16ClN5O2 — CID 129048369

IUPACN-[2-chloro-5-(2-oxo-9-pyrazol-1-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-n5cccn5)cc4c32)ccc1Cl
InChIInChI=1S/C23H16ClN5O2/c1-14(30)27-21-12-17(4-6-19(21)24)29-22(31)8-3-15-13-25-20-7-5-16(11-18(20)23(15)29)28-10-2-9-26-28/h2-13H,1H3,(H,27,30)
InChIKeyHIVHGFJCMZOYNF-UHFFFAOYSA-N
MW429.87 g/mol
LogP4.34
Rot. Bonds3

About N-[2-chloro-5-(2-oxo-9-pyrazol-1-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]acetamide

N-[2-chloro-5-(2-oxo-9-pyrazol-1-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]acetamide (PubChem CID 129048369) has the molecular formula C23H16ClN5O2 and a molecular weight of 429.87 g/mol. Its IUPAC name is N-[2-chloro-5-(2-oxo-9-pyrazol-1-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(2-oxo-9-pyrazol-1-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]acetamide
PubChem CID129048369
Molecular FormulaC23H16ClN5O2
Molecular Weight429.87 g/mol
Exact Mass429.10
IUPAC NameN-[2-chloro-5-(2-oxo-9-pyrazol-1-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-n5cccn5)cc4c32)ccc1Cl
InChIInChI=1S/C23H16ClN5O2/c1-14(30)27-21-12-17(4-6-19(21)24)29-22(31)8-3-15-13-25-20-7-5-16(11-18(20)23(15)29)28-10-2-9-26-28/h2-13H,1H3,(H,27,30)
InChIKeyHIVHGFJCMZOYNF-UHFFFAOYSA-N
XLogP4.34
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.87
LogP ≤ 54.34
H-Bond Donors ≤ 51
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 N-[2-chloro-5-(2-oxo-9-pyrazol-1-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]acetamide?
The IUPAC name of N-[2-chloro-5-(2-oxo-9-pyrazol-1-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]acetamide (CID 129048369) is N-[2-chloro-5-(2-oxo-9-pyrazol-1-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[2-chloro-5-(2-oxo-9-pyrazol-1-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]acetamide?
The canonical SMILES for N-[2-chloro-5-(2-oxo-9-pyrazol-1-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]acetamide is CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-n5cccn5)cc4c32)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(2-oxo-9-pyrazol-1-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]acetamide?
The InChIKey is HIVHGFJCMZOYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN5O2/c1-14(30)27-21-12-17(4-6-19(21)24)29-22(31)8-3-15-13-25-20-7-5-16(11-18(20)23(15)29)28-10-2-9-26-28/h2-13H,1H3,(H,27,30).
What are the key properties of N-[2-chloro-5-(2-oxo-9-pyrazol-1-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]acetamide?
N-[2-chloro-5-(2-oxo-9-pyrazol-1-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]acetamide has a molecular weight of 429.87 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(2-oxo-9-pyrazol-1-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]acetamide is sourced from PubChem (CID 129048369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).