N-(4-amino-2-fluorophenyl)-1H-indazole-4-carboxamide

C14H11FN4O — CID 172894549

IUPACN-(4-amino-2-fluorophenyl)-1H-indazole-4-carboxamide
SMILESNc1ccc(NC(=O)c2cccc3[nH]ncc23)c(F)c1
InChIInChI=1S/C14H11FN4O/c15-11-6-8(16)4-5-13(11)18-14(20)9-2-1-3-12-10(9)7-17-19-12/h1-7H,16H2,(H,17,19)(H,18,20)
InChIKeyRAZJZANRXHBLEA-UHFFFAOYSA-N
MW270.27 g/mol
LogP2.54
Rot. Bonds2

About N-(4-amino-2-fluorophenyl)-1H-indazole-4-carboxamide

N-(4-amino-2-fluorophenyl)-1H-indazole-4-carboxamide (PubChem CID 172894549) has the molecular formula C14H11FN4O and a molecular weight of 270.27 g/mol. Its IUPAC name is N-(4-amino-2-fluorophenyl)-1H-indazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-fluorophenyl)-1H-indazole-4-carboxamide
PubChem CID172894549
Molecular FormulaC14H11FN4O
Molecular Weight270.27 g/mol
Exact Mass270.09
IUPAC NameN-(4-amino-2-fluorophenyl)-1H-indazole-4-carboxamide
SMILESNc1ccc(NC(=O)c2cccc3[nH]ncc23)c(F)c1
InChIInChI=1S/C14H11FN4O/c15-11-6-8(16)4-5-13(11)18-14(20)9-2-1-3-12-10(9)7-17-19-12/h1-7H,16H2,(H,17,19)(H,18,20)
InChIKeyRAZJZANRXHBLEA-UHFFFAOYSA-N
XLogP2.54
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-fluorophenyl)-2,3-dihydroxybenzamide
CID 114343189
4-amino-2-fluoro-N-(1H-indazol-7-yl)benzamide
CID 107794047
2-bromo-4-fluoro-N-(1H-indazol-4-yl)benzamide
CID 60933063
2-amino-5-chloro-N-(1H-indazol-4-yl)benzamide
CID 61117079
3-amino-2,6-difluoro-N-(1H-indazol-4-yl)benzamide
CID 79758086
N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-1H-indazole-4-carboxamide
CID 51101844
N-[3-(dimethylamino)phenyl]-1H-indazole-4-carboxamide
CID 110468742
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-indazole-4-carboxamide
CID 47381995
N-(4-amino-2-fluorophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 62831114
5-bromo-N-(2-fluoro-4-iodophenyl)naphthalene-1-carboxamide
CID 17111228
N-(3-hydroxypropyl)-1H-indazole-4-carboxamide
CID 110468684
N-(1H-indazol-4-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103772000

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-fluorophenyl)-1H-indazole-4-carboxamide?
The IUPAC name of N-(4-amino-2-fluorophenyl)-1H-indazole-4-carboxamide (CID 172894549) is N-(4-amino-2-fluorophenyl)-1H-indazole-4-carboxamide.
What is the SMILES notation for N-(4-amino-2-fluorophenyl)-1H-indazole-4-carboxamide?
The canonical SMILES for N-(4-amino-2-fluorophenyl)-1H-indazole-4-carboxamide is Nc1ccc(NC(=O)c2cccc3[nH]ncc23)c(F)c1.
What is the InChIKey of N-(4-amino-2-fluorophenyl)-1H-indazole-4-carboxamide?
The InChIKey is RAZJZANRXHBLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O/c15-11-6-8(16)4-5-13(11)18-14(20)9-2-1-3-12-10(9)7-17-19-12/h1-7H,16H2,(H,17,19)(H,18,20).
What are the key properties of N-(4-amino-2-fluorophenyl)-1H-indazole-4-carboxamide?
N-(4-amino-2-fluorophenyl)-1H-indazole-4-carboxamide has a molecular weight of 270.27 g/mol, XLogP of 2.54, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-fluorophenyl)-1H-indazole-4-carboxamide is sourced from PubChem (CID 172894549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).