N-[4-[(1-methyl-4-oxo-1,2,3,5-tetrahydropyrazolo[3,4-c][1,8]naphthyridin-9-yl)amino]phenyl]benzamide

C23H20N6O2 — CID 90755546

IUPACN-[4-[(1-methyl-4-oxo-1,2,3,5-tetrahydropyrazolo[3,4-c][1,8]naphthyridin-9-yl)amino]phenyl]benzamide
SMILESCC1NNc2c1c1c(Nc3ccc(NC(=O)c4ccccc4)cc3)ccnc1[nH]c2=O
InChIInChI=1S/C23H20N6O2/c1-13-18-19-17(11-12-24-21(19)27-23(31)20(18)29-28-13)25-15-7-9-16(10-8-15)26-22(30)14-5-3-2-4-6-14/h2-13,28-29H,1H3,(H,26,30)(H2,24,25,27,31)
InChIKeyZFOQASWTAMMFAJ-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.91
Rot. Bonds4

About N-[4-[(1-methyl-4-oxo-1,2,3,5-tetrahydropyrazolo[3,4-c][1,8]naphthyridin-9-yl)amino]phenyl]benzamide

N-[4-[(1-methyl-4-oxo-1,2,3,5-tetrahydropyrazolo[3,4-c][1,8]naphthyridin-9-yl)amino]phenyl]benzamide (PubChem CID 90755546) has the molecular formula C23H20N6O2 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-[4-[(1-methyl-4-oxo-1,2,3,5-tetrahydropyrazolo[3,4-c][1,8]naphthyridin-9-yl)amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[(1-methyl-4-oxo-1,2,3,5-tetrahydropyrazolo[3,4-c][1,8]naphthyridin-9-yl)amino]phenyl]benzamide
PubChem CID90755546
Molecular FormulaC23H20N6O2
Molecular Weight412.45 g/mol
Exact Mass412.16
IUPAC NameN-[4-[(1-methyl-4-oxo-1,2,3,5-tetrahydropyrazolo[3,4-c][1,8]naphthyridin-9-yl)amino]phenyl]benzamide
SMILESCC1NNc2c1c1c(Nc3ccc(NC(=O)c4ccccc4)cc3)ccnc1[nH]c2=O
InChIInChI=1S/C23H20N6O2/c1-13-18-19-17(11-12-24-21(19)27-23(31)20(18)29-28-13)25-15-7-9-16(10-8-15)26-22(30)14-5-3-2-4-6-14/h2-13,28-29H,1H3,(H,26,30)(H2,24,25,27,31)
InChIKeyZFOQASWTAMMFAJ-UHFFFAOYSA-N
XLogP3.91
TPSA110.94 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze N-[4-[(1-methyl-4-oxo-1,2,3,5-tetrahydropyrazolo[3,4-c][1,8]naphthyridin-9-yl)amino]phenyl]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

N-[4-[(6-oxo-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide
CID 58564225
methyl 1-(4-benzamidoanilino)-6-oxo-5H-benzo[c][1,8]naphthyridine-9-carboxylate
CID 58168157
N-[4-[(8,9-dimethoxy-6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide;N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)oxy]phenyl]benzamide
CID 172703911
1-methyl-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]pyrazole-3-carboxamide;N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]pyridine-3-carboxamide
CID 159227461
2,6-dichloro-N-[4-[(6-oxo-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide
CID 58564253
N-[4-[[6-(dimethylamino)quinolin-4-yl]amino]phenyl]benzamide
CID 142700397
1-methyl-4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]-N-phenylpyrrole-2-carboxamide
CID 58168022
N-phenyl-4-(quinolin-4-ylamino)benzamide
CID 58472461
N-[4-[(4-oxo-1,2,5,9b-tetrahydropyrazolo[3,4-c][1,8]naphthyridin-9-yl)amino]phenyl]benzamide
CID 70870943
N-(4-anilinophenyl)-4-benzamidobenzamide
CID 52560314
4-fluoro-N-[4-[(4-oxo-1,2,3,5-tetrahydropyrazolo[3,4-c][1,8]naphthyridin-9-yl)amino]phenyl]-2-(trifluoromethyl)benzamide
CID 91177682
N-(4-anilinophenyl)-4-[(6-ethynylquinolin-4-yl)amino]benzamide
CID 170005207

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-methyl-4-oxo-1,2,3,5-tetrahydropyrazolo[3,4-c][1,8]naphthyridin-9-yl)amino]phenyl]benzamide?
The IUPAC name of N-[4-[(1-methyl-4-oxo-1,2,3,5-tetrahydropyrazolo[3,4-c][1,8]naphthyridin-9-yl)amino]phenyl]benzamide (CID 90755546) is N-[4-[(1-methyl-4-oxo-1,2,3,5-tetrahydropyrazolo[3,4-c][1,8]naphthyridin-9-yl)amino]phenyl]benzamide.
What is the SMILES notation for N-[4-[(1-methyl-4-oxo-1,2,3,5-tetrahydropyrazolo[3,4-c][1,8]naphthyridin-9-yl)amino]phenyl]benzamide?
The canonical SMILES for N-[4-[(1-methyl-4-oxo-1,2,3,5-tetrahydropyrazolo[3,4-c][1,8]naphthyridin-9-yl)amino]phenyl]benzamide is CC1NNc2c1c1c(Nc3ccc(NC(=O)c4ccccc4)cc3)ccnc1[nH]c2=O.
What is the InChIKey of N-[4-[(1-methyl-4-oxo-1,2,3,5-tetrahydropyrazolo[3,4-c][1,8]naphthyridin-9-yl)amino]phenyl]benzamide?
The InChIKey is ZFOQASWTAMMFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2/c1-13-18-19-17(11-12-24-21(19)27-23(31)20(18)29-28-13)25-15-7-9-16(10-8-15)26-22(30)14-5-3-2-4-6-14/h2-13,28-29H,1H3,(H,26,30)(H2,24,25,27,31).
What are the key properties of N-[4-[(1-methyl-4-oxo-1,2,3,5-tetrahydropyrazolo[3,4-c][1,8]naphthyridin-9-yl)amino]phenyl]benzamide?
N-[4-[(1-methyl-4-oxo-1,2,3,5-tetrahydropyrazolo[3,4-c][1,8]naphthyridin-9-yl)amino]phenyl]benzamide has a molecular weight of 412.45 g/mol, XLogP of 3.91, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-methyl-4-oxo-1,2,3,5-tetrahydropyrazolo[3,4-c][1,8]naphthyridin-9-yl)amino]phenyl]benzamide is sourced from PubChem (CID 90755546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).