N-(4-amino-3-fluorophenyl)-1-methylindazole-3-carboxamide

C15H13FN4O — CID 103116278

IUPACN-(4-amino-3-fluorophenyl)-1-methylindazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(N)c(F)c2)c2ccccc21
InChIInChI=1S/C15H13FN4O/c1-20-13-5-3-2-4-10(13)14(19-20)15(21)18-9-6-7-12(17)11(16)8-9/h2-8H,17H2,1H3,(H,18,21)
InChIKeyNTGCEYIPDTTWQJ-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.55
Rot. Bonds2

About N-(4-amino-3-fluorophenyl)-1-methylindazole-3-carboxamide

N-(4-amino-3-fluorophenyl)-1-methylindazole-3-carboxamide (PubChem CID 103116278) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is N-(4-amino-3-fluorophenyl)-1-methylindazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3-fluorophenyl)-1-methylindazole-3-carboxamide
PubChem CID103116278
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC NameN-(4-amino-3-fluorophenyl)-1-methylindazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(N)c(F)c2)c2ccccc21
InChIInChI=1S/C15H13FN4O/c1-20-13-5-3-2-4-10(13)14(19-20)15(21)18-9-6-7-12(17)11(16)8-9/h2-8H,17H2,1H3,(H,18,21)
InChIKeyNTGCEYIPDTTWQJ-UHFFFAOYSA-N
XLogP2.55
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.55
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

N-(3-bromo-4-fluorophenyl)-1-methylindazole-3-carboxamide
CID 103118370
N-(2-fluoro-4-methylphenyl)-1-methylindazole-3-carboxamide
CID 71794697
N-(4-amino-3-fluorophenyl)-1-methylimidazole-4-carboxamide
CID 114022445
N-(5-amino-3-bromo-2-pyridinyl)-1-methylindazole-3-carboxamide
CID 103116225
N-[(4-fluorophenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822185
N-(2-methoxyphenyl)-1-methylindazole-3-carboxamide
CID 110859879
N-(4,5-dimethyl-1,3-oxazol-2-yl)-1-methylindazole-3-carboxamide
CID 166321033
N-(4-chloro-2-pyridinyl)-1-methylindazole-3-carboxamide
CID 103123877
(2-fluorophenyl)-(1-methylindazol-3-yl)methanone
CID 103124147
(3,4-difluorophenyl)-(1-methylindazol-3-yl)methanone
CID 103124566
N-(2-chloroethyl)-1-methylindazole-3-carboxamide
CID 103119713
1-[(2,4-dichlorophenyl)methyl]-N-(3,4-difluorophenyl)indazole-3-carboxamide
CID 11704695

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-fluorophenyl)-1-methylindazole-3-carboxamide?
The IUPAC name of N-(4-amino-3-fluorophenyl)-1-methylindazole-3-carboxamide (CID 103116278) is N-(4-amino-3-fluorophenyl)-1-methylindazole-3-carboxamide.
What is the SMILES notation for N-(4-amino-3-fluorophenyl)-1-methylindazole-3-carboxamide?
The canonical SMILES for N-(4-amino-3-fluorophenyl)-1-methylindazole-3-carboxamide is Cn1nc(C(=O)Nc2ccc(N)c(F)c2)c2ccccc21.
What is the InChIKey of N-(4-amino-3-fluorophenyl)-1-methylindazole-3-carboxamide?
The InChIKey is NTGCEYIPDTTWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c1-20-13-5-3-2-4-10(13)14(19-20)15(21)18-9-6-7-12(17)11(16)8-9/h2-8H,17H2,1H3,(H,18,21).
What are the key properties of N-(4-amino-3-fluorophenyl)-1-methylindazole-3-carboxamide?
N-(4-amino-3-fluorophenyl)-1-methylindazole-3-carboxamide has a molecular weight of 284.29 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-fluorophenyl)-1-methylindazole-3-carboxamide is sourced from PubChem (CID 103116278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).