N-(2-amino-4-fluorophenyl)-1-(2-morpholin-4-ylethyl)indazole-5-carboxamide

C20H22FN5O2 — CID 90329656

IUPACN-(2-amino-4-fluorophenyl)-1-(2-morpholin-4-ylethyl)indazole-5-carboxamide
SMILESNc1cc(F)ccc1NC(=O)c1ccc2c(cnn2CCN2CCOCC2)c1
InChIInChI=1S/C20H22FN5O2/c21-16-2-3-18(17(22)12-16)24-20(27)14-1-4-19-15(11-14)13-23-26(19)6-5-25-7-9-28-10-8-25/h1-4,11-13H,5-10,22H2,(H,24,27)
InChIKeyFGMSMFBBLUIZAA-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.34
Rot. Bonds5

About N-(2-amino-4-fluorophenyl)-1-(2-morpholin-4-ylethyl)indazole-5-carboxamide

N-(2-amino-4-fluorophenyl)-1-(2-morpholin-4-ylethyl)indazole-5-carboxamide (PubChem CID 90329656) has the molecular formula C20H22FN5O2 and a molecular weight of 383.43 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-1-(2-morpholin-4-ylethyl)indazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-1-(2-morpholin-4-ylethyl)indazole-5-carboxamide
PubChem CID90329656
Molecular FormulaC20H22FN5O2
Molecular Weight383.43 g/mol
Exact Mass383.18
IUPAC NameN-(2-amino-4-fluorophenyl)-1-(2-morpholin-4-ylethyl)indazole-5-carboxamide
SMILESNc1cc(F)ccc1NC(=O)c1ccc2c(cnn2CCN2CCOCC2)c1
InChIInChI=1S/C20H22FN5O2/c21-16-2-3-18(17(22)12-16)24-20(27)14-1-4-19-15(11-14)13-23-26(19)6-5-25-7-9-28-10-8-25/h1-4,11-13H,5-10,22H2,(H,24,27)
InChIKeyFGMSMFBBLUIZAA-UHFFFAOYSA-N
XLogP2.34
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-1-(2-morpholin-4-ylethyl)indazole-5-carboxamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-1-(2-morpholin-4-ylethyl)indazole-5-carboxamide (CID 90329656) is N-(2-amino-4-fluorophenyl)-1-(2-morpholin-4-ylethyl)indazole-5-carboxamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-1-(2-morpholin-4-ylethyl)indazole-5-carboxamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-1-(2-morpholin-4-ylethyl)indazole-5-carboxamide is Nc1cc(F)ccc1NC(=O)c1ccc2c(cnn2CCN2CCOCC2)c1.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-1-(2-morpholin-4-ylethyl)indazole-5-carboxamide?
The InChIKey is FGMSMFBBLUIZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O2/c21-16-2-3-18(17(22)12-16)24-20(27)14-1-4-19-15(11-14)13-23-26(19)6-5-25-7-9-28-10-8-25/h1-4,11-13H,5-10,22H2,(H,24,27).
What are the key properties of N-(2-amino-4-fluorophenyl)-1-(2-morpholin-4-ylethyl)indazole-5-carboxamide?
N-(2-amino-4-fluorophenyl)-1-(2-morpholin-4-ylethyl)indazole-5-carboxamide has a molecular weight of 383.43 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-1-(2-morpholin-4-ylethyl)indazole-5-carboxamide is sourced from PubChem (CID 90329656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).