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

C21H15F3N4O — CID 86299830

IUPACN-(2-amino-4-fluorophenyl)-1-[(3,4-difluorophenyl)methyl]indazole-5-carboxamide
SMILESNc1cc(F)ccc1NC(=O)c1ccc2c(cnn2Cc2ccc(F)c(F)c2)c1
InChIInChI=1S/C21H15F3N4O/c22-15-3-5-19(18(25)9-15)27-21(29)13-2-6-20-14(8-13)10-26-28(20)11-12-1-4-16(23)17(24)7-12/h1-10H,11,25H2,(H,27,29)
InChIKeyFYGJSVINNIQHDG-UHFFFAOYSA-N
MW396.37 g/mol
LogP4.34
Rot. Bonds4

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

N-(2-amino-4-fluorophenyl)-1-[(3,4-difluorophenyl)methyl]indazole-5-carboxamide (PubChem CID 86299830) has the molecular formula C21H15F3N4O and a molecular weight of 396.37 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-1-[(3,4-difluorophenyl)methyl]indazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-1-[(3,4-difluorophenyl)methyl]indazole-5-carboxamide
PubChem CID86299830
Molecular FormulaC21H15F3N4O
Molecular Weight396.37 g/mol
Exact Mass396.12
IUPAC NameN-(2-amino-4-fluorophenyl)-1-[(3,4-difluorophenyl)methyl]indazole-5-carboxamide
SMILESNc1cc(F)ccc1NC(=O)c1ccc2c(cnn2Cc2ccc(F)c(F)c2)c1
InChIInChI=1S/C21H15F3N4O/c22-15-3-5-19(18(25)9-15)27-21(29)13-2-6-20-14(8-13)10-26-28(20)11-12-1-4-16(23)17(24)7-12/h1-10H,11,25H2,(H,27,29)
InChIKeyFYGJSVINNIQHDG-UHFFFAOYSA-N
XLogP4.34
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Niraparib
CID 24958200
2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide
CID 24958198
N-(3-chloro-4-fluorophenyl)-1-methylindazole-5-carboxamide
CID 77844718
N-(2-amino-5-phenylphenyl)-4-({[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]amino}methyl)benzamide
CID 25158261
2-Benzyl-2H-indazole-7-carboxamide
CID 44549372
N-(3,4-difluorophenyl)-1-methylindazole-5-carboxamide
CID 77844720
n-Phenyl-1h-indazole-5-carboxamide
CID 22933429
(R)-2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide
CID 24958199
2-(4-(piperidin-4-yl)phenyl)-2H-indazole-7-carboxamide
CID 44549379
2-(4-((dimethylamino)methyl)phenyl)-2H-indazole-7-carboxamide
CID 44549647
2-(4-(piperidin-1-ylmethyl)phenyl)-2H-indazole-7-carboxamide
CID 44549649
2-{4-[(4-Methylpiperazin-1-yl)methyl]phenyl}-2H-indazole-7-carboxamide
CID 44549651

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-1-[(3,4-difluorophenyl)methyl]indazole-5-carboxamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-1-[(3,4-difluorophenyl)methyl]indazole-5-carboxamide (CID 86299830) is N-(2-amino-4-fluorophenyl)-1-[(3,4-difluorophenyl)methyl]indazole-5-carboxamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-1-[(3,4-difluorophenyl)methyl]indazole-5-carboxamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-1-[(3,4-difluorophenyl)methyl]indazole-5-carboxamide is Nc1cc(F)ccc1NC(=O)c1ccc2c(cnn2Cc2ccc(F)c(F)c2)c1.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-1-[(3,4-difluorophenyl)methyl]indazole-5-carboxamide?
The InChIKey is FYGJSVINNIQHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O/c22-15-3-5-19(18(25)9-15)27-21(29)13-2-6-20-14(8-13)10-26-28(20)11-12-1-4-16(23)17(24)7-12/h1-10H,11,25H2,(H,27,29).
What are the key properties of N-(2-amino-4-fluorophenyl)-1-[(3,4-difluorophenyl)methyl]indazole-5-carboxamide?
N-(2-amino-4-fluorophenyl)-1-[(3,4-difluorophenyl)methyl]indazole-5-carboxamide has a molecular weight of 396.37 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-1-[(3,4-difluorophenyl)methyl]indazole-5-carboxamide is sourced from PubChem (CID 86299830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).