3-[(2-aminophenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one

C22H17N5O — CID 67396078

IUPAC3-[(2-aminophenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one
SMILESNc1ccccc1Cc1[nH]nc2c1c(=O)n(-c1ccccc1)c1ncccc21
InChIInChI=1S/C22H17N5O/c23-17-11-5-4-7-14(17)13-18-19-20(26-25-18)16-10-6-12-24-21(16)27(22(19)28)15-8-2-1-3-9-15/h1-12H,13,23H2,(H,25,26)
InChIKeyHPEIFAKQMQDTLB-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.43
Rot. Bonds3

About 3-[(2-aminophenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one

3-[(2-aminophenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one (PubChem CID 67396078) has the molecular formula C22H17N5O and a molecular weight of 367.41 g/mol. Its IUPAC name is 3-[(2-aminophenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one.

Molecular Properties

Compound Name3-[(2-aminophenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one
PubChem CID67396078
Molecular FormulaC22H17N5O
Molecular Weight367.41 g/mol
Exact Mass367.14
IUPAC Name3-[(2-aminophenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one
SMILESNc1ccccc1Cc1[nH]nc2c1c(=O)n(-c1ccccc1)c1ncccc21
InChIInChI=1S/C22H17N5O/c23-17-11-5-4-7-14(17)13-18-19-20(26-25-18)16-10-6-12-24-21(16)27(22(19)28)15-8-2-1-3-9-15/h1-12H,13,23H2,(H,25,26)
InChIKeyHPEIFAKQMQDTLB-UHFFFAOYSA-N
XLogP3.43
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(2-aminophenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one 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

Gpd-1116
CID 9841417
Indole naphthyridinone 30
CID 6539897
2-(4-Hydroxy-phenyl)-2,5,6,7,8,9-hexahydro-pyrazolo[4,3-c]quinolin-3-one
CID 13713270
3-ethyl-5-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrimidin-4-one
CID 71253681
2,7-dimethyl-N,3-diphenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 936600
6-hydrazino-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]nicotinamide
CID 57340723
N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)pyridine-3-carboxamide
CID 664677
8-fluoro-1-piperidin-1-yl-5H-pyrido[4,3-b]indole-4-carboxamide
CID 23582568
1,3-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrazole-4-carboxamide
CID 46231352
3-(4-((1H-indazol-4-yl)(methyl)amino)pyrimidin-2-ylamino)-N,N-dimethylbenzamide
CID 52942251
3-(4-(1H-indazol-4-ylamino)pyrimidin-2-ylamino)-N,N-dimethylbenzamide
CID 52948307
2-phenyl-4-(2H-pyrazolo[3,4-b]pyridin-3-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-5-one
CID 53494669

Frequently Asked Questions

What is the IUPAC name of 3-[(2-aminophenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one?
The IUPAC name of 3-[(2-aminophenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one (CID 67396078) is 3-[(2-aminophenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one.
What is the SMILES notation for 3-[(2-aminophenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one?
The canonical SMILES for 3-[(2-aminophenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one is Nc1ccccc1Cc1[nH]nc2c1c(=O)n(-c1ccccc1)c1ncccc21.
What is the InChIKey of 3-[(2-aminophenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one?
The InChIKey is HPEIFAKQMQDTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O/c23-17-11-5-4-7-14(17)13-18-19-20(26-25-18)16-10-6-12-24-21(16)27(22(19)28)15-8-2-1-3-9-15/h1-12H,13,23H2,(H,25,26).
What are the key properties of 3-[(2-aminophenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one?
3-[(2-aminophenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one has a molecular weight of 367.41 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-aminophenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one is sourced from PubChem (CID 67396078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).