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

C22H18N6O2 — CID 70870943

IUPACN-[4-[(4-oxo-1,2,5,9b-tetrahydropyrazolo[3,4-c][1,8]naphthyridin-9-yl)amino]phenyl]benzamide
SMILESO=C1Nc2nccc(Nc3ccc(NC(=O)c4ccccc4)cc3)c2C2CNN=C12
InChIInChI=1S/C22H18N6O2/c29-21(13-4-2-1-3-5-13)26-15-8-6-14(7-9-15)25-17-10-11-23-20-18(17)16-12-24-28-19(16)22(30)27-20/h1-11,16,24H,12H2,(H,26,29)(H2,23,25,27,30)
InChIKeyXEPWYHWZYRZIBV-UHFFFAOYSA-N
MW398.43 g/mol
LogP3.07
Rot. Bonds4

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

N-[4-[(4-oxo-1,2,5,9b-tetrahydropyrazolo[3,4-c][1,8]naphthyridin-9-yl)amino]phenyl]benzamide (PubChem CID 70870943) has the molecular formula C22H18N6O2 and a molecular weight of 398.43 g/mol. Its IUPAC name is N-[4-[(4-oxo-1,2,5,9b-tetrahydropyrazolo[3,4-c][1,8]naphthyridin-9-yl)amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[(4-oxo-1,2,5,9b-tetrahydropyrazolo[3,4-c][1,8]naphthyridin-9-yl)amino]phenyl]benzamide
PubChem CID70870943
Molecular FormulaC22H18N6O2
Molecular Weight398.43 g/mol
Exact Mass398.15
IUPAC NameN-[4-[(4-oxo-1,2,5,9b-tetrahydropyrazolo[3,4-c][1,8]naphthyridin-9-yl)amino]phenyl]benzamide
SMILESO=C1Nc2nccc(Nc3ccc(NC(=O)c4ccccc4)cc3)c2C2CNN=C12
InChIInChI=1S/C22H18N6O2/c29-21(13-4-2-1-3-5-13)26-15-8-6-14(7-9-15)25-17-10-11-23-20-18(17)16-12-24-28-19(16)22(30)27-20/h1-11,16,24H,12H2,(H,26,29)(H2,23,25,27,30)
InChIKeyXEPWYHWZYRZIBV-UHFFFAOYSA-N
XLogP3.07
TPSA107.51 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 53.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[4-[(6-oxo-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide
CID 58564225
N-[4-[(1-methyl-4-oxo-1,2,3,5-tetrahydropyrazolo[3,4-c][1,8]naphthyridin-9-yl)amino]phenyl]benzamide
CID 90755546
N-phenyl-4-(quinolin-4-ylamino)benzamide
CID 58472461
N-(4-anilinophenyl)-4-benzamidobenzamide
CID 52560314
methyl 1-(4-benzamidoanilino)-6-oxo-5H-benzo[c][1,8]naphthyridine-9-carboxylate
CID 58168157
N-[4-[[6-(dimethylamino)quinolin-4-yl]amino]phenyl]benzamide
CID 142700397
N-(4-anilinophenyl)-4-[(6-ethynylquinolin-4-yl)amino]benzamide
CID 170005207
N-[4-(2-cyanoanilino)phenyl]benzamide
CID 112989829
(4-benzamidophenyl)carbamic acid
CID 18543096
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
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
N-pyrimidin-2-ylbenzamide
CID 638481

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-oxo-1,2,5,9b-tetrahydropyrazolo[3,4-c][1,8]naphthyridin-9-yl)amino]phenyl]benzamide?
The IUPAC name of N-[4-[(4-oxo-1,2,5,9b-tetrahydropyrazolo[3,4-c][1,8]naphthyridin-9-yl)amino]phenyl]benzamide (CID 70870943) is N-[4-[(4-oxo-1,2,5,9b-tetrahydropyrazolo[3,4-c][1,8]naphthyridin-9-yl)amino]phenyl]benzamide.
What is the SMILES notation for N-[4-[(4-oxo-1,2,5,9b-tetrahydropyrazolo[3,4-c][1,8]naphthyridin-9-yl)amino]phenyl]benzamide?
The canonical SMILES for N-[4-[(4-oxo-1,2,5,9b-tetrahydropyrazolo[3,4-c][1,8]naphthyridin-9-yl)amino]phenyl]benzamide is O=C1Nc2nccc(Nc3ccc(NC(=O)c4ccccc4)cc3)c2C2CNN=C12.
What is the InChIKey of N-[4-[(4-oxo-1,2,5,9b-tetrahydropyrazolo[3,4-c][1,8]naphthyridin-9-yl)amino]phenyl]benzamide?
The InChIKey is XEPWYHWZYRZIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O2/c29-21(13-4-2-1-3-5-13)26-15-8-6-14(7-9-15)25-17-10-11-23-20-18(17)16-12-24-28-19(16)22(30)27-20/h1-11,16,24H,12H2,(H,26,29)(H2,23,25,27,30).
What are the key properties of N-[4-[(4-oxo-1,2,5,9b-tetrahydropyrazolo[3,4-c][1,8]naphthyridin-9-yl)amino]phenyl]benzamide?
N-[4-[(4-oxo-1,2,5,9b-tetrahydropyrazolo[3,4-c][1,8]naphthyridin-9-yl)amino]phenyl]benzamide has a molecular weight of 398.43 g/mol, XLogP of 3.07, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-oxo-1,2,5,9b-tetrahydropyrazolo[3,4-c][1,8]naphthyridin-9-yl)amino]phenyl]benzamide is sourced from PubChem (CID 70870943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).