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

C21H23FN4O3 — CID 10157700

IUPACN-(4-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
SMILESCOc1cccc2c(C(=O)Nc3ccc(F)cc3)nn(CCN3CCOCC3)c12
InChIInChI=1S/C21H23FN4O3/c1-28-18-4-2-3-17-19(21(27)23-16-7-5-15(22)6-8-16)24-26(20(17)18)10-9-25-11-13-29-14-12-25/h2-8H,9-14H2,1H3,(H,23,27)
InChIKeyCIAWPBGHCLCHDG-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.77
Rot. Bonds6

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

N-(4-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide (PubChem CID 10157700) has the molecular formula C21H23FN4O3 and a molecular weight of 398.44 g/mol. Its IUPAC name is N-(4-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
PubChem CID10157700
Molecular FormulaC21H23FN4O3
Molecular Weight398.44 g/mol
Exact Mass398.18
IUPAC NameN-(4-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
SMILESCOc1cccc2c(C(=O)Nc3ccc(F)cc3)nn(CCN3CCOCC3)c12
InChIInChI=1S/C21H23FN4O3/c1-28-18-4-2-3-17-19(21(27)23-16-7-5-15(22)6-8-16)24-26(20(17)18)10-9-25-11-13-29-14-12-25/h2-8H,9-14H2,1H3,(H,23,27)
InChIKeyCIAWPBGHCLCHDG-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-(4-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide (CID 10157700) is N-(4-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide is COc1cccc2c(C(=O)Nc3ccc(F)cc3)nn(CCN3CCOCC3)c12.
What is the InChIKey of N-(4-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide?
The InChIKey is CIAWPBGHCLCHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O3/c1-28-18-4-2-3-17-19(21(27)23-16-7-5-15(22)6-8-16)24-26(20(17)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-(4-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide?
N-(4-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-(4-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide is sourced from PubChem (CID 10157700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).