N-(2-aminophenyl)-1-[(3,4-difluorophenyl)methyl]indazole-5-carboxamide

C21H16F2N4O — CID 86299829

IUPACN-(2-aminophenyl)-1-[(3,4-difluorophenyl)methyl]indazole-5-carboxamide
SMILESNc1ccccc1NC(=O)c1ccc2c(cnn2Cc2ccc(F)c(F)c2)c1
InChIInChI=1S/C21H16F2N4O/c22-16-7-5-13(9-17(16)23)12-27-20-8-6-14(10-15(20)11-25-27)21(28)26-19-4-2-1-3-18(19)24/h1-11H,12,24H2,(H,26,28)
InChIKeySUZFPWOLELRTOH-UHFFFAOYSA-N
MW378.38 g/mol
LogP4.20
Rot. Bonds4

About N-(2-aminophenyl)-1-[(3,4-difluorophenyl)methyl]indazole-5-carboxamide

N-(2-aminophenyl)-1-[(3,4-difluorophenyl)methyl]indazole-5-carboxamide (PubChem CID 86299829) has the molecular formula C21H16F2N4O and a molecular weight of 378.38 g/mol. Its IUPAC name is N-(2-aminophenyl)-1-[(3,4-difluorophenyl)methyl]indazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-1-[(3,4-difluorophenyl)methyl]indazole-5-carboxamide
PubChem CID86299829
Molecular FormulaC21H16F2N4O
Molecular Weight378.38 g/mol
Exact Mass378.13
IUPAC NameN-(2-aminophenyl)-1-[(3,4-difluorophenyl)methyl]indazole-5-carboxamide
SMILESNc1ccccc1NC(=O)c1ccc2c(cnn2Cc2ccc(F)c(F)c2)c1
InChIInChI=1S/C21H16F2N4O/c22-16-7-5-13(9-17(16)23)12-27-20-8-6-14(10-15(20)11-25-27)21(28)26-19-4-2-1-3-18(19)24/h1-11H,12,24H2,(H,26,28)
InChIKeySUZFPWOLELRTOH-UHFFFAOYSA-N
XLogP4.20
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-aminophenyl)-1-[(3,4-difluorophenyl)methyl]indazole-5-carboxamide 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

Niraparib
CID 24958200
5F-Cumyl-PINACA
CID 86274158
2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide
CID 24958198
N-(3-chloro-4-fluorophenyl)-1-methylindazole-5-carboxamide
CID 77844718
Fub-apinaca
CID 118796517
N-(2-amino-5-phenylphenyl)-4-({[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]amino}methyl)benzamide
CID 25158261
N-(3,4-difluorophenyl)-1-methylindazole-5-carboxamide
CID 77844720
c-Niraparib
CID 124081212
2-(1H-indazol-1-yl)-N-mesitylacetamide
CID 20885360
n-Phenyl-1h-indazole-5-carboxamide
CID 22933429
N-(1-benzylpiperidin-4-yl)-1H-indazole-5-carboxamide
CID 22933917
(R)-2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide
CID 24958199

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-1-[(3,4-difluorophenyl)methyl]indazole-5-carboxamide?
The IUPAC name of N-(2-aminophenyl)-1-[(3,4-difluorophenyl)methyl]indazole-5-carboxamide (CID 86299829) is N-(2-aminophenyl)-1-[(3,4-difluorophenyl)methyl]indazole-5-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-1-[(3,4-difluorophenyl)methyl]indazole-5-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-1-[(3,4-difluorophenyl)methyl]indazole-5-carboxamide is Nc1ccccc1NC(=O)c1ccc2c(cnn2Cc2ccc(F)c(F)c2)c1.
What is the InChIKey of N-(2-aminophenyl)-1-[(3,4-difluorophenyl)methyl]indazole-5-carboxamide?
The InChIKey is SUZFPWOLELRTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4O/c22-16-7-5-13(9-17(16)23)12-27-20-8-6-14(10-15(20)11-25-27)21(28)26-19-4-2-1-3-18(19)24/h1-11H,12,24H2,(H,26,28).
What are the key properties of N-(2-aminophenyl)-1-[(3,4-difluorophenyl)methyl]indazole-5-carboxamide?
N-(2-aminophenyl)-1-[(3,4-difluorophenyl)methyl]indazole-5-carboxamide has a molecular weight of 378.38 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-1-[(3,4-difluorophenyl)methyl]indazole-5-carboxamide is sourced from PubChem (CID 86299829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).