N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]-5-methoxypyridine-3-carboxamide

C22H19FN4O3 — CID 23589904

IUPACN-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]-5-methoxypyridine-3-carboxamide
SMILESCOc1cncc(C(=O)NCc2cc3c(-c4cccc(F)c4)n[nH]c3cc2OC)c1
InChIInChI=1S/C22H19FN4O3/c1-29-17-7-15(10-24-12-17)22(28)25-11-14-8-18-19(9-20(14)30-2)26-27-21(18)13-4-3-5-16(23)6-13/h3-10,12H,11H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyJRGYXUYHAPEPPY-UHFFFAOYSA-N
MW406.42 g/mol
LogP3.71
Rot. Bonds6

About N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]-5-methoxypyridine-3-carboxamide

N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]-5-methoxypyridine-3-carboxamide (PubChem CID 23589904) has the molecular formula C22H19FN4O3 and a molecular weight of 406.42 g/mol. Its IUPAC name is N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]-5-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]-5-methoxypyridine-3-carboxamide
PubChem CID23589904
Molecular FormulaC22H19FN4O3
Molecular Weight406.42 g/mol
Exact Mass406.14
IUPAC NameN-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]-5-methoxypyridine-3-carboxamide
SMILESCOc1cncc(C(=O)NCc2cc3c(-c4cccc(F)c4)n[nH]c3cc2OC)c1
InChIInChI=1S/C22H19FN4O3/c1-29-17-7-15(10-24-12-17)22(28)25-11-14-8-18-19(9-20(14)30-2)26-27-21(18)13-4-3-5-16(23)6-13/h3-10,12H,11H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyJRGYXUYHAPEPPY-UHFFFAOYSA-N
XLogP3.71
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]-5-methoxypyridine-3-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-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]-5-methoxypyridine-3-carboxamide?
The IUPAC name of N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]-5-methoxypyridine-3-carboxamide (CID 23589904) is N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]-5-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]-5-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]-5-methoxypyridine-3-carboxamide is COc1cncc(C(=O)NCc2cc3c(-c4cccc(F)c4)n[nH]c3cc2OC)c1.
What is the InChIKey of N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]-5-methoxypyridine-3-carboxamide?
The InChIKey is JRGYXUYHAPEPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O3/c1-29-17-7-15(10-24-12-17)22(28)25-11-14-8-18-19(9-20(14)30-2)26-27-21(18)13-4-3-5-16(23)6-13/h3-10,12H,11H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]-5-methoxypyridine-3-carboxamide?
N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]-5-methoxypyridine-3-carboxamide has a molecular weight of 406.42 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]-5-methoxypyridine-3-carboxamide is sourced from PubChem (CID 23589904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).