N-[3-fluoro-6-(1H-indol-4-yl)-2H-indazol-4-yl]-3-propan-2-ylpyridine-2-carboxamide

C24H20FN5O — CID 53233088

IUPACN-[3-fluoro-6-(1H-indol-4-yl)-2H-indazol-4-yl]-3-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)c1cccnc1C(=O)Nc1cc(-c2cccc3[nH]ccc23)cc2n[nH]c(F)c12
InChIInChI=1S/C24H20FN5O/c1-13(2)15-6-4-9-27-22(15)24(31)28-19-11-14(12-20-21(19)23(25)30-29-20)16-5-3-7-18-17(16)8-10-26-18/h3-13,26H,1-2H3,(H,28,31)(H,29,30)
InChIKeyIIOSZBZUTSXURP-UHFFFAOYSA-N
MW413.46 g/mol
LogP5.62
Rot. Bonds4

About N-[3-fluoro-6-(1H-indol-4-yl)-2H-indazol-4-yl]-3-propan-2-ylpyridine-2-carboxamide

N-[3-fluoro-6-(1H-indol-4-yl)-2H-indazol-4-yl]-3-propan-2-ylpyridine-2-carboxamide (PubChem CID 53233088) has the molecular formula C24H20FN5O and a molecular weight of 413.46 g/mol. Its IUPAC name is N-[3-fluoro-6-(1H-indol-4-yl)-2H-indazol-4-yl]-3-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-6-(1H-indol-4-yl)-2H-indazol-4-yl]-3-propan-2-ylpyridine-2-carboxamide
PubChem CID53233088
Molecular FormulaC24H20FN5O
Molecular Weight413.46 g/mol
Exact Mass413.17
IUPAC NameN-[3-fluoro-6-(1H-indol-4-yl)-2H-indazol-4-yl]-3-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)c1cccnc1C(=O)Nc1cc(-c2cccc3[nH]ccc23)cc2n[nH]c(F)c12
InChIInChI=1S/C24H20FN5O/c1-13(2)15-6-4-9-27-22(15)24(31)28-19-11-14(12-20-21(19)23(25)30-29-20)16-5-3-7-18-17(16)8-10-26-18/h3-13,26H,1-2H3,(H,28,31)(H,29,30)
InChIKeyIIOSZBZUTSXURP-UHFFFAOYSA-N
XLogP5.62
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.46
LogP ≤ 55.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[3-fluoro-6-(1H-indol-4-yl)-2H-indazol-4-yl]-3-propan-2-ylpyridine-2-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-fluoro-6-(1H-indol-4-yl)-2H-indazol-4-yl]-3-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of N-[3-fluoro-6-(1H-indol-4-yl)-2H-indazol-4-yl]-3-propan-2-ylpyridine-2-carboxamide (CID 53233088) is N-[3-fluoro-6-(1H-indol-4-yl)-2H-indazol-4-yl]-3-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[3-fluoro-6-(1H-indol-4-yl)-2H-indazol-4-yl]-3-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for N-[3-fluoro-6-(1H-indol-4-yl)-2H-indazol-4-yl]-3-propan-2-ylpyridine-2-carboxamide is CC(C)c1cccnc1C(=O)Nc1cc(-c2cccc3[nH]ccc23)cc2n[nH]c(F)c12.
What is the InChIKey of N-[3-fluoro-6-(1H-indol-4-yl)-2H-indazol-4-yl]-3-propan-2-ylpyridine-2-carboxamide?
The InChIKey is IIOSZBZUTSXURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O/c1-13(2)15-6-4-9-27-22(15)24(31)28-19-11-14(12-20-21(19)23(25)30-29-20)16-5-3-7-18-17(16)8-10-26-18/h3-13,26H,1-2H3,(H,28,31)(H,29,30).
What are the key properties of N-[3-fluoro-6-(1H-indol-4-yl)-2H-indazol-4-yl]-3-propan-2-ylpyridine-2-carboxamide?
N-[3-fluoro-6-(1H-indol-4-yl)-2H-indazol-4-yl]-3-propan-2-ylpyridine-2-carboxamide has a molecular weight of 413.46 g/mol, XLogP of 5.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-6-(1H-indol-4-yl)-2H-indazol-4-yl]-3-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 53233088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).