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

C21H23FN4O3 — CID 18765341

IUPACN-(2-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
SMILESCOc1cccc2c(C(=O)Nc3ccccc3F)nn(CCN3CCOCC3)c12
InChIInChI=1S/C21H23FN4O3/c1-28-18-8-4-5-15-19(21(27)23-17-7-3-2-6-16(17)22)24-26(20(15)18)10-9-25-11-13-29-14-12-25/h2-8H,9-14H2,1H3,(H,23,27)
InChIKeyFIFLRVYBDGAUEK-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.77
Rot. Bonds6

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

N-(2-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide (PubChem CID 18765341) has the molecular formula C21H23FN4O3 and a molecular weight of 398.44 g/mol. Its IUPAC name is N-(2-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
PubChem CID18765341
Molecular FormulaC21H23FN4O3
Molecular Weight398.44 g/mol
Exact Mass398.18
IUPAC NameN-(2-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
SMILESCOc1cccc2c(C(=O)Nc3ccccc3F)nn(CCN3CCOCC3)c12
InChIInChI=1S/C21H23FN4O3/c1-28-18-8-4-5-15-19(21(27)23-17-7-3-2-6-16(17)22)24-26(20(15)18)10-9-25-11-13-29-14-12-25/h2-8H,9-14H2,1H3,(H,23,27)
InChIKeyFIFLRVYBDGAUEK-UHFFFAOYSA-N
XLogP2.77
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide (CID 18765341) is N-(2-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide is COc1cccc2c(C(=O)Nc3ccccc3F)nn(CCN3CCOCC3)c12.
What is the InChIKey of N-(2-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide?
The InChIKey is FIFLRVYBDGAUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O3/c1-28-18-8-4-5-15-19(21(27)23-17-7-3-2-6-16(17)22)24-26(20(15)18)10-9-25-11-13-29-14-12-25/h2-8H,9-14H2,1H3,(H,23,27).
What are the key properties of N-(2-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide?
N-(2-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide has a molecular weight of 398.44 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide is sourced from PubChem (CID 18765341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).