2-bromoacetamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;methane

C64H56BrF3N12O3 — CID 157245494

IUPAC2-bromoacetamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;methane
SMILESC.Cc1cc(-c2ncccc2-c2ccc3[nH]ncc3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3c(cnn3CC(N)=O)c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3nn(CC(N)=O)cc3c2)ccc1F.NC(=O)CBr
InChIInChI=1S/2C21H17FN4O.C19H14FN3.C2H4BrNO.CH4/c1-13-9-15(4-6-18(13)22)21-17(3-2-8-24-21)14-5-7-19-16(10-14)11-26(25-19)12-20(23)27;1-13-9-15(4-6-18(13)22)21-17(3-2-8-24-21)14-5-7-19-16(10-14)11-25-26(19)12-20(23)27;1-12-9-14(4-6-17(12)20)19-16(3-2-8-21-19)13-5-7-18-15(10-13)11-22-23-18;3-1-2(4)5;/h2*2-11H,12H2,1H3,(H2,23,27);2-11H,1H3,(H,22,23);1H2,(H2,4,5);1H4
InChIKeyAVSBOCARCMSXMW-UHFFFAOYSA-N
MW1178.13 g/mol
LogP12.64
Rot. Bonds11

About 2-bromoacetamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;methane

2-bromoacetamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;methane (PubChem CID 157245494) has the molecular formula C64H56BrF3N12O3 and a molecular weight of 1178.13 g/mol. Its IUPAC name is 2-bromoacetamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;methane.

Molecular Properties

Compound Name2-bromoacetamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;methane
PubChem CID157245494
Molecular FormulaC64H56BrF3N12O3
Molecular Weight1178.13 g/mol
Exact Mass1176.37
IUPAC Name2-bromoacetamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;methane
SMILESC.Cc1cc(-c2ncccc2-c2ccc3[nH]ncc3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3c(cnn3CC(N)=O)c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3nn(CC(N)=O)cc3c2)ccc1F.NC(=O)CBr
InChIInChI=1S/2C21H17FN4O.C19H14FN3.C2H4BrNO.CH4/c1-13-9-15(4-6-18(13)22)21-17(3-2-8-24-21)14-5-7-19-16(10-14)11-26(25-19)12-20(23)27;1-13-9-15(4-6-18(13)22)21-17(3-2-8-24-21)14-5-7-19-16(10-14)11-25-26(19)12-20(23)27;1-12-9-14(4-6-17(12)20)19-16(3-2-8-21-19)13-5-7-18-15(10-13)11-22-23-18;3-1-2(4)5;/h2*2-11H,12H2,1H3,(H2,23,27);2-11H,1H3,(H,22,23);1H2,(H2,4,5);1H4
InChIKeyAVSBOCARCMSXMW-UHFFFAOYSA-N
XLogP12.64
TPSA232.26 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001178.13
LogP ≤ 512.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2-bromoacetamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;methane 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

US10660877, Example 156
CID 134329711
3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole
CID 137034241
N-[5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 137088117
N-[5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 137116836
US11053226, Example 208
CID 146630922
5-[1-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole
CID 69621108
5-[1-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole
CID 89790515
N-[5-[3-[7-(5-fluoro-3-pyridinyl)-2,3-dihydro-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]propanamide
CID 89856064
N-[5-[3-[7-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-2,3-dihydro-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]propanamide
CID 89856075
Tris[[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]methyl] phosphate
CID 90094866
Tris[[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]methyl] phosphate
CID 90095825
7-[[2-fluoro-5-[9-(3-methyl-2H-indazol-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]phenyl]methyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one
CID 90995543

Frequently Asked Questions

What is the IUPAC name of 2-bromoacetamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;methane?
The IUPAC name of 2-bromoacetamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;methane (CID 157245494) is 2-bromoacetamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;methane.
What is the SMILES notation for 2-bromoacetamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;methane?
The canonical SMILES for 2-bromoacetamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;methane is C.Cc1cc(-c2ncccc2-c2ccc3[nH]ncc3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3c(cnn3CC(N)=O)c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3nn(CC(N)=O)cc3c2)ccc1F.NC(=O)CBr.
What is the InChIKey of 2-bromoacetamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;methane?
The InChIKey is AVSBOCARCMSXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H17FN4O.C19H14FN3.C2H4BrNO.CH4/c1-13-9-15(4-6-18(13)22)21-17(3-2-8-24-21)14-5-7-19-16(10-14)11-26(25-19)12-20(23)27;1-13-9-15(4-6-18(13)22)21-17(3-2-8-24-21)14-5-7-19-16(10-14)11-25-26(19)12-20(23)27;1-12-9-14(4-6-17(12)20)19-16(3-2-8-21-19)13-5-7-18-15(10-13)11-22-23-18;3-1-2(4)5;/h2*2-11H,12H2,1H3,(H2,23,27);2-11H,1H3,(H,22,23);1H2,(H2,4,5);1H4.
What are the key properties of 2-bromoacetamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;methane?
2-bromoacetamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;methane has a molecular weight of 1178.13 g/mol, XLogP of 12.64, 11 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoacetamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;methane is sourced from PubChem (CID 157245494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).