2-[3-amino-6-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]indazol-1-yl]acetamide

C18H14F6N4O2 — CID 122574530

IUPAC2-[3-amino-6-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]indazol-1-yl]acetamide
SMILESNC(=O)Cn1nc(N)c2ccc(-c3cc(F)ccc3OCC(F)(F)C(F)(F)F)cc21
InChIInChI=1S/C18H14F6N4O2/c19-10-2-4-14(30-8-17(20,21)18(22,23)24)12(6-10)9-1-3-11-13(5-9)28(7-15(25)29)27-16(11)26/h1-6H,7-8H2,(H2,25,29)(H2,26,27)
InChIKeyDRIABLUOLKTGOP-UHFFFAOYSA-N
MW432.32 g/mol
LogP3.49
Rot. Bonds6

About 2-[3-amino-6-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]indazol-1-yl]acetamide

2-[3-amino-6-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]indazol-1-yl]acetamide (PubChem CID 122574530) has the molecular formula C18H14F6N4O2 and a molecular weight of 432.32 g/mol. Its IUPAC name is 2-[3-amino-6-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]indazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-amino-6-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]indazol-1-yl]acetamide
PubChem CID122574530
Molecular FormulaC18H14F6N4O2
Molecular Weight432.32 g/mol
Exact Mass432.10
IUPAC Name2-[3-amino-6-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]indazol-1-yl]acetamide
SMILESNC(=O)Cn1nc(N)c2ccc(-c3cc(F)ccc3OCC(F)(F)C(F)(F)F)cc21
InChIInChI=1S/C18H14F6N4O2/c19-10-2-4-14(30-8-17(20,21)18(22,23)24)12(6-10)9-1-3-11-13(5-9)28(7-15(25)29)27-16(11)26/h1-6H,7-8H2,(H2,25,29)(H2,26,27)
InChIKeyDRIABLUOLKTGOP-UHFFFAOYSA-N
XLogP3.49
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.32
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[3-amino-6-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]indazol-1-yl]acetamide 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

6-[3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-4-methyl-5-oxopyrazine-2-carboxamide
CID 11719762
1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-[3-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]indazol-3-amine
CID 140900794
1-[3-[4-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]pyrazole-3,5-dicarboxamide
CID 53326496
3-[3-[5-fluoro-2-(2,2,3,3,4,4,4-heptafluorobutoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 11167536
[4-fluoro-2-(4-methylphenyl)phenyl] carbamate;2,2,2-trifluoroacetic acid
CID 159259690
2-[6-oxo-3-[6-(trifluoromethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide
CID 153140345
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 6852091
5-[5-fluoro-2-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide
CID 169403613
tert-butyl 2-(3-amino-6-bromoindazol-1-yl)acetate
CID 155977865
2-[5-(6-fluoro-1H-indol-3-yl)-2-oxo-1,3-benzoxazol-3-yl]acetamide
CID 118382706
3-[2,4-difluoro-3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3,4-difluoro-5-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[2,4-difluoro-3-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3,4-difluoro-5-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3,4-difluoro-5-[2-(trifluoromethoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3-(5-fluoro-2-prop-2-enoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[4-fluoro-3-(2-prop-2-enoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 159612791
6-fluoro-1-methylindazol-3-amine
CID 15239650

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-6-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]indazol-1-yl]acetamide?
The IUPAC name of 2-[3-amino-6-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]indazol-1-yl]acetamide (CID 122574530) is 2-[3-amino-6-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]indazol-1-yl]acetamide.
What is the SMILES notation for 2-[3-amino-6-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]indazol-1-yl]acetamide?
The canonical SMILES for 2-[3-amino-6-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]indazol-1-yl]acetamide is NC(=O)Cn1nc(N)c2ccc(-c3cc(F)ccc3OCC(F)(F)C(F)(F)F)cc21.
What is the InChIKey of 2-[3-amino-6-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]indazol-1-yl]acetamide?
The InChIKey is DRIABLUOLKTGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F6N4O2/c19-10-2-4-14(30-8-17(20,21)18(22,23)24)12(6-10)9-1-3-11-13(5-9)28(7-15(25)29)27-16(11)26/h1-6H,7-8H2,(H2,25,29)(H2,26,27).
What are the key properties of 2-[3-amino-6-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]indazol-1-yl]acetamide?
2-[3-amino-6-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]indazol-1-yl]acetamide has a molecular weight of 432.32 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-6-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]indazol-1-yl]acetamide is sourced from PubChem (CID 122574530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).