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

C21H22BrFN4O3 — CID 18765485

IUPACN-(2-bromo-4-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
SMILESCOc1cccc2c(C(=O)Nc3ccc(F)cc3Br)nn(CCN3CCOCC3)c12
InChIInChI=1S/C21H22BrFN4O3/c1-29-18-4-2-3-15-19(21(28)24-17-6-5-14(23)13-16(17)22)25-27(20(15)18)8-7-26-9-11-30-12-10-26/h2-6,13H,7-12H2,1H3,(H,24,28)
InChIKeySMMGTANHSLZIOP-UHFFFAOYSA-N
MW477.33 g/mol
LogP3.53
Rot. Bonds6

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

N-(2-bromo-4-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide (PubChem CID 18765485) has the molecular formula C21H22BrFN4O3 and a molecular weight of 477.33 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
PubChem CID18765485
Molecular FormulaC21H22BrFN4O3
Molecular Weight477.33 g/mol
Exact Mass476.09
IUPAC NameN-(2-bromo-4-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
SMILESCOc1cccc2c(C(=O)Nc3ccc(F)cc3Br)nn(CCN3CCOCC3)c12
InChIInChI=1S/C21H22BrFN4O3/c1-29-18-4-2-3-15-19(21(28)24-17-6-5-14(23)13-16(17)22)25-27(20(15)18)8-7-26-9-11-30-12-10-26/h2-6,13H,7-12H2,1H3,(H,24,28)
InChIKeySMMGTANHSLZIOP-UHFFFAOYSA-N
XLogP3.53
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.33
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide (CID 18765485) is N-(2-bromo-4-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide is COc1cccc2c(C(=O)Nc3ccc(F)cc3Br)nn(CCN3CCOCC3)c12.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide?
The InChIKey is SMMGTANHSLZIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22BrFN4O3/c1-29-18-4-2-3-15-19(21(28)24-17-6-5-14(23)13-16(17)22)25-27(20(15)18)8-7-26-9-11-30-12-10-26/h2-6,13H,7-12H2,1H3,(H,24,28).
What are the key properties of N-(2-bromo-4-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide?
N-(2-bromo-4-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide has a molecular weight of 477.33 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide is sourced from PubChem (CID 18765485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).