N-(2-bromo-5-methylphenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide

C22H25BrN4O3 — CID 18765316

IUPACN-(2-bromo-5-methylphenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
SMILESCOc1cccc2c(C(=O)Nc3cc(C)ccc3Br)nn(CCN3CCOCC3)c12
InChIInChI=1S/C22H25BrN4O3/c1-15-6-7-17(23)18(14-15)24-22(28)20-16-4-3-5-19(29-2)21(16)27(25-20)9-8-26-10-12-30-13-11-26/h3-7,14H,8-13H2,1-2H3,(H,24,28)
InChIKeyZOOIALFOWDTCJZ-UHFFFAOYSA-N
MW473.37 g/mol
LogP3.70
Rot. Bonds6

About N-(2-bromo-5-methylphenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide

N-(2-bromo-5-methylphenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide (PubChem CID 18765316) has the molecular formula C22H25BrN4O3 and a molecular weight of 473.37 g/mol. Its IUPAC name is N-(2-bromo-5-methylphenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-methylphenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
PubChem CID18765316
Molecular FormulaC22H25BrN4O3
Molecular Weight473.37 g/mol
Exact Mass472.11
IUPAC NameN-(2-bromo-5-methylphenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
SMILESCOc1cccc2c(C(=O)Nc3cc(C)ccc3Br)nn(CCN3CCOCC3)c12
InChIInChI=1S/C22H25BrN4O3/c1-15-6-7-17(23)18(14-15)24-22(28)20-16-4-3-5-19(29-2)21(16)27(25-20)9-8-26-10-12-30-13-11-26/h3-7,14H,8-13H2,1-2H3,(H,24,28)
InChIKeyZOOIALFOWDTCJZ-UHFFFAOYSA-N
XLogP3.70
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-methoxy-1-(2-morpholin-4-ylethyl)-N-(2,4,6-trimethylphenyl)indazole-3-carboxamide
CID 18765263
7-methoxy-N-(5-methyl-2-pyridinyl)-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 20604498
7-methoxy-N-(2-methoxy-4-methyl-3-pyridinyl)-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 18765431
7-methoxy-1-(2-morpholin-4-ylethyl)-N-[3-(trifluoromethoxy)phenyl]indazole-3-carboxamide
CID 20604475
N-(2,3-dihydro-1H-inden-2-yl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 20604642
7-methoxy-1-(2-morpholin-4-ylethyl)-N-(1-phenylpropyl)indazole-3-carboxamide
CID 18765265
7-methoxy-1-(2-morpholin-4-ylethyl)-N-(pyridin-3-ylmethyl)indazole-3-carboxamide
CID 18765507
7-methoxy-N-[2-(3-methylimidazol-4-yl)ethyl]-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 18765480
N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 20604626
N-[1-(4-chlorophenyl)propan-2-yl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 18765301
N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 18765320
7-methoxy-1-(2-morpholin-4-ylethyl)-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indazole-3-carboxamide
CID 10928335

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methylphenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide?
The IUPAC name of N-(2-bromo-5-methylphenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide (CID 18765316) is N-(2-bromo-5-methylphenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide.
What is the SMILES notation for N-(2-bromo-5-methylphenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide?
The canonical SMILES for N-(2-bromo-5-methylphenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide is COc1cccc2c(C(=O)Nc3cc(C)ccc3Br)nn(CCN3CCOCC3)c12.
What is the InChIKey of N-(2-bromo-5-methylphenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide?
The InChIKey is ZOOIALFOWDTCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrN4O3/c1-15-6-7-17(23)18(14-15)24-22(28)20-16-4-3-5-19(29-2)21(16)27(25-20)9-8-26-10-12-30-13-11-26/h3-7,14H,8-13H2,1-2H3,(H,24,28).
What are the key properties of N-(2-bromo-5-methylphenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide?
N-(2-bromo-5-methylphenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide has a molecular weight of 473.37 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methylphenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide is sourced from PubChem (CID 18765316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).