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

C17H15FN4O2 — CID 22479683

IUPACN-(3-amino-3-oxopropyl)-3-(4-fluorophenyl)-1H-indazole-5-carboxamide
SMILESNC(=O)CCNC(=O)c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C17H15FN4O2/c18-12-4-1-10(2-5-12)16-13-9-11(3-6-14(13)21-22-16)17(24)20-8-7-15(19)23/h1-6,9H,7-8H2,(H2,19,23)(H,20,24)(H,21,22)
InChIKeyZUCSMCFWKYPCQI-UHFFFAOYSA-N
MW326.33 g/mol
LogP1.97
Rot. Bonds5

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

N-(3-amino-3-oxopropyl)-3-(4-fluorophenyl)-1H-indazole-5-carboxamide (PubChem CID 22479683) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-3-(4-fluorophenyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-3-(4-fluorophenyl)-1H-indazole-5-carboxamide
PubChem CID22479683
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC NameN-(3-amino-3-oxopropyl)-3-(4-fluorophenyl)-1H-indazole-5-carboxamide
SMILESNC(=O)CCNC(=O)c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C17H15FN4O2/c18-12-4-1-10(2-5-12)16-13-9-11(3-6-14(13)21-22-16)17(24)20-8-7-15(19)23/h1-6,9H,7-8H2,(H2,19,23)(H,20,24)(H,21,22)
InChIKeyZUCSMCFWKYPCQI-UHFFFAOYSA-N
XLogP1.97
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(3-amino-3-oxopropyl)-3-(4-fluorophenyl)-1H-indazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-3-(4-fluorophenyl)-1H-indazole-5-carboxamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-3-(4-fluorophenyl)-1H-indazole-5-carboxamide (CID 22479683) is N-(3-amino-3-oxopropyl)-3-(4-fluorophenyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-3-(4-fluorophenyl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-3-(4-fluorophenyl)-1H-indazole-5-carboxamide is NC(=O)CCNC(=O)c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-3-(4-fluorophenyl)-1H-indazole-5-carboxamide?
The InChIKey is ZUCSMCFWKYPCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2/c18-12-4-1-10(2-5-12)16-13-9-11(3-6-14(13)21-22-16)17(24)20-8-7-15(19)23/h1-6,9H,7-8H2,(H2,19,23)(H,20,24)(H,21,22).
What are the key properties of N-(3-amino-3-oxopropyl)-3-(4-fluorophenyl)-1H-indazole-5-carboxamide?
N-(3-amino-3-oxopropyl)-3-(4-fluorophenyl)-1H-indazole-5-carboxamide has a molecular weight of 326.33 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-3-(4-fluorophenyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 22479683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).