N-(4-amino-4-oxobutyl)-3-(4-fluorophenyl)-1H-indazole-5-carboxamide

C18H17FN4O2 — CID 22479693

IUPACN-(4-amino-4-oxobutyl)-3-(4-fluorophenyl)-1H-indazole-5-carboxamide
SMILESNC(=O)CCCNC(=O)c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C18H17FN4O2/c19-13-6-3-11(4-7-13)17-14-10-12(5-8-15(14)22-23-17)18(25)21-9-1-2-16(20)24/h3-8,10H,1-2,9H2,(H2,20,24)(H,21,25)(H,22,23)
InChIKeyMZCXENPYGXGODS-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.36
Rot. Bonds6

About N-(4-amino-4-oxobutyl)-3-(4-fluorophenyl)-1H-indazole-5-carboxamide

N-(4-amino-4-oxobutyl)-3-(4-fluorophenyl)-1H-indazole-5-carboxamide (PubChem CID 22479693) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is N-(4-amino-4-oxobutyl)-3-(4-fluorophenyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-amino-4-oxobutyl)-3-(4-fluorophenyl)-1H-indazole-5-carboxamide
PubChem CID22479693
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC NameN-(4-amino-4-oxobutyl)-3-(4-fluorophenyl)-1H-indazole-5-carboxamide
SMILESNC(=O)CCCNC(=O)c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C18H17FN4O2/c19-13-6-3-11(4-7-13)17-14-10-12(5-8-15(14)22-23-17)18(25)21-9-1-2-16(20)24/h3-8,10H,1-2,9H2,(H2,20,24)(H,21,25)(H,22,23)
InChIKeyMZCXENPYGXGODS-UHFFFAOYSA-N
XLogP2.36
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-oxobutyl)-3-(4-fluorophenyl)-1H-indazole-5-carboxamide?
The IUPAC name of N-(4-amino-4-oxobutyl)-3-(4-fluorophenyl)-1H-indazole-5-carboxamide (CID 22479693) is N-(4-amino-4-oxobutyl)-3-(4-fluorophenyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-(4-amino-4-oxobutyl)-3-(4-fluorophenyl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-(4-amino-4-oxobutyl)-3-(4-fluorophenyl)-1H-indazole-5-carboxamide is NC(=O)CCCNC(=O)c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1.
What is the InChIKey of N-(4-amino-4-oxobutyl)-3-(4-fluorophenyl)-1H-indazole-5-carboxamide?
The InChIKey is MZCXENPYGXGODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c19-13-6-3-11(4-7-13)17-14-10-12(5-8-15(14)22-23-17)18(25)21-9-1-2-16(20)24/h3-8,10H,1-2,9H2,(H2,20,24)(H,21,25)(H,22,23).
What are the key properties of N-(4-amino-4-oxobutyl)-3-(4-fluorophenyl)-1H-indazole-5-carboxamide?
N-(4-amino-4-oxobutyl)-3-(4-fluorophenyl)-1H-indazole-5-carboxamide has a molecular weight of 340.36 g/mol, XLogP of 2.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-oxobutyl)-3-(4-fluorophenyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 22479693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).