2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-7-yl]benzamide

C18H12F3N5O2 — CID 122180351

IUPAC2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-7-yl]benzamide
SMILESNC(=O)c1ccccc1-c1cnc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2c1
InChIInChI=1S/C18H12F3N5O2/c19-18(20,21)8-26-13-5-9(10-3-1-2-4-11(10)16(22)27)6-23-15(13)14-12(17(26)28)7-24-25-14/h1-7H,8H2,(H2,22,27)(H,24,25)
InChIKeyMYPUPDPYJZYCLA-UHFFFAOYSA-N
MW387.32 g/mol
LogP2.60
Rot. Bonds3

About 2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-7-yl]benzamide

2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-7-yl]benzamide (PubChem CID 122180351) has the molecular formula C18H12F3N5O2 and a molecular weight of 387.32 g/mol. Its IUPAC name is 2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-7-yl]benzamide.

Molecular Properties

Compound Name2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-7-yl]benzamide
PubChem CID122180351
Molecular FormulaC18H12F3N5O2
Molecular Weight387.32 g/mol
Exact Mass387.09
IUPAC Name2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-7-yl]benzamide
SMILESNC(=O)c1ccccc1-c1cnc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2c1
InChIInChI=1S/C18H12F3N5O2/c19-18(20,21)8-26-13-5-9(10-3-1-2-4-11(10)16(22)27)6-23-15(13)14-12(17(26)28)7-24-25-14/h1-7H,8H2,(H2,22,27)(H,24,25)
InChIKeyMYPUPDPYJZYCLA-UHFFFAOYSA-N
XLogP2.60
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.32
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-7-yl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(1H-pyrazol-3-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280160
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxamide
CID 15958784
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-N-methyl-1H-pyrazole-5-carboxamide
CID 15958785
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-N,N-dimethyl-1H-pyrazole-5-carboxamide
CID 15958786
1-(4-benzoylpiperazin-1-yl)-2-(7-pyrazol-1-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethane-1,2-dione
CID 15958910
Safimaltib
CID 134609793
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 57382333
N-(3-fluoro-4-pyridinyl)-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 165415060
5-(1-methylpyrazol-4-yl)-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]pyridine-3-carboxamide
CID 137646593
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[6-(1H-pyrazol-5-yl)-3-pyridinyl]ethane-1,2-dione
CID 24995075
4-(Benzylamino)-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide
CID 68291866
5-(3-(1-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)benzamido)-6-phenylnicotinamide
CID 118392439

Frequently Asked Questions

What is the IUPAC name of 2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-7-yl]benzamide?
The IUPAC name of 2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-7-yl]benzamide (CID 122180351) is 2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-7-yl]benzamide.
What is the SMILES notation for 2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-7-yl]benzamide?
The canonical SMILES for 2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-7-yl]benzamide is NC(=O)c1ccccc1-c1cnc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2c1.
What is the InChIKey of 2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-7-yl]benzamide?
The InChIKey is MYPUPDPYJZYCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N5O2/c19-18(20,21)8-26-13-5-9(10-3-1-2-4-11(10)16(22)27)6-23-15(13)14-12(17(26)28)7-24-25-14/h1-7H,8H2,(H2,22,27)(H,24,25).
What are the key properties of 2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-7-yl]benzamide?
2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-7-yl]benzamide has a molecular weight of 387.32 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-7-yl]benzamide is sourced from PubChem (CID 122180351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).