N-(2,6-dibromo-4-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide

C21H21Br2FN4O3 — CID 18765493

IUPACN-(2,6-dibromo-4-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
SMILESCOc1cccc2c(C(=O)Nc3c(Br)cc(F)cc3Br)nn(CCN3CCOCC3)c12
InChIInChI=1S/C21H21Br2FN4O3/c1-30-17-4-2-3-14-18(21(29)25-19-15(22)11-13(24)12-16(19)23)26-28(20(14)17)6-5-27-7-9-31-10-8-27/h2-4,11-12H,5-10H2,1H3,(H,25,29)
InChIKeyWTJFWZVSGITSCY-UHFFFAOYSA-N
MW556.23 g/mol
LogP4.29
Rot. Bonds6

About N-(2,6-dibromo-4-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide

N-(2,6-dibromo-4-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide (PubChem CID 18765493) has the molecular formula C21H21Br2FN4O3 and a molecular weight of 556.23 g/mol. Its IUPAC name is N-(2,6-dibromo-4-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dibromo-4-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
PubChem CID18765493
Molecular FormulaC21H21Br2FN4O3
Molecular Weight556.23 g/mol
Exact Mass554.00
IUPAC NameN-(2,6-dibromo-4-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
SMILESCOc1cccc2c(C(=O)Nc3c(Br)cc(F)cc3Br)nn(CCN3CCOCC3)c12
InChIInChI=1S/C21H21Br2FN4O3/c1-30-17-4-2-3-14-18(21(29)25-19-15(22)11-13(24)12-16(19)23)26-28(20(14)17)6-5-27-7-9-31-10-8-27/h2-4,11-12H,5-10H2,1H3,(H,25,29)
InChIKeyWTJFWZVSGITSCY-UHFFFAOYSA-N
XLogP4.29
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.23
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-7-phenylmethoxyindazole-3-carboxamide
CID 46233637
7-Methoxy-1-(2-morpholin-4-yl-ethyl)-1H-indazole-3-carboxylic acid 2-methoxy-benzylamide
CID 10159384
7-Methoxy-1-(2-morpholin-4-yl-ethyl)-1H-indazole-3-carboxylic acid (2-chloro-6-fluoro-benzyl)-isopropyl-amide
CID 11049238
7-methoxy-1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
CID 46233636
N-(4-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 10157700
7-methoxy-1-(2-morpholin-4-ylethyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]indazole-3-carboxamide
CID 18765273
N-(2-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 18765341
N-[(2,5-difluorophenyl)methyl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 18765398
N-(2-bromo-4-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 18765485
7-methoxy-1-(2-morpholin-4-ylethyl)-N-[2-piperazin-1-yl-5-(trifluoromethyl)phenyl]indazole-3-carboxamide
CID 20604470
7-methoxy-1-(2-morpholin-4-ylethyl)-N-[2-(trifluoromethoxy)phenyl]indazole-3-carboxamide
CID 20604471
7-methoxy-1-(2-morpholin-4-ylethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]indazole-3-carboxamide
CID 20604472

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromo-4-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide?
The IUPAC name of N-(2,6-dibromo-4-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide (CID 18765493) is N-(2,6-dibromo-4-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide.
What is the SMILES notation for N-(2,6-dibromo-4-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide?
The canonical SMILES for N-(2,6-dibromo-4-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide is COc1cccc2c(C(=O)Nc3c(Br)cc(F)cc3Br)nn(CCN3CCOCC3)c12.
What is the InChIKey of N-(2,6-dibromo-4-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide?
The InChIKey is WTJFWZVSGITSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Br2FN4O3/c1-30-17-4-2-3-14-18(21(29)25-19-15(22)11-13(24)12-16(19)23)26-28(20(14)17)6-5-27-7-9-31-10-8-27/h2-4,11-12H,5-10H2,1H3,(H,25,29).
What are the key properties of N-(2,6-dibromo-4-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide?
N-(2,6-dibromo-4-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide has a molecular weight of 556.23 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromo-4-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide is sourced from PubChem (CID 18765493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).