n-(4-(6-Amino-1h-indazol-5-yloxy)-3-fluorophenyl)-6-methyl-2-oxo-1-phenyl-1,2-dihydropyridine-3-carboxamide

C26H20FN5O3 — CID 59159924

IUPACN-[4-[(6-amino-1H-indazol-5-yl)oxy]-3-fluorophenyl]-6-methyl-2-oxo-1-phenylpyridine-3-carboxamide
SMILESCC1=CC=C(C(=O)N1C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)OC4=C(C=C5C(=C4)C=NN5)N)F
InChIInChI=1S/C26H20FN5O3/c1-15-7-9-19(26(34)32(15)18-5-3-2-4-6-18)25(33)30-17-8-10-23(20(27)12-17)35-24-11-16-14-29-31-22(16)13-21(24)28/h2-14H,28H2,1H3,(H,29,31)(H,30,33)
InChIKeyKQUMPVACLCUODY-UHFFFAOYSA-N
MW469.50 g/mol
LogP3.90
Rot. Bonds5

About n-(4-(6-Amino-1h-indazol-5-yloxy)-3-fluorophenyl)-6-methyl-2-oxo-1-phenyl-1,2-dihydropyridine-3-carboxamide

n-(4-(6-Amino-1h-indazol-5-yloxy)-3-fluorophenyl)-6-methyl-2-oxo-1-phenyl-1,2-dihydropyridine-3-carboxamide (PubChem CID 59159924) has the molecular formula C26H20FN5O3 and a molecular weight of 469.50 g/mol. Its IUPAC name is N-[4-[(6-amino-1H-indazol-5-yl)oxy]-3-fluorophenyl]-6-methyl-2-oxo-1-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Namen-(4-(6-Amino-1h-indazol-5-yloxy)-3-fluorophenyl)-6-methyl-2-oxo-1-phenyl-1,2-dihydropyridine-3-carboxamide
PubChem CID59159924
Molecular FormulaC26H20FN5O3
Molecular Weight469.50 g/mol
Exact Mass469.16
IUPAC NameN-[4-[(6-amino-1H-indazol-5-yl)oxy]-3-fluorophenyl]-6-methyl-2-oxo-1-phenylpyridine-3-carboxamide
SMILESCC1=CC=C(C(=O)N1C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)OC4=C(C=C5C(=C4)C=NN5)N)F
InChIInChI=1S/C26H20FN5O3/c1-15-7-9-19(26(34)32(15)18-5-3-2-4-6-18)25(33)30-17-8-10-23(20(27)12-17)35-24-11-16-14-29-31-22(16)13-21(24)28/h2-14H,28H2,1H3,(H,29,31)(H,30,33)
InChIKeyKQUMPVACLCUODY-UHFFFAOYSA-N
XLogP3.90
TPSA113.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity873

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 53.90
H-Bond Donors ≤ 53
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-(4-(6-Amino-1h-indazol-5-yloxy)-3-fluorophenyl)-6-methyl-2-oxo-1-phenyl-1,2-dihydropyridine-3-carboxamide?
The IUPAC name of n-(4-(6-Amino-1h-indazol-5-yloxy)-3-fluorophenyl)-6-methyl-2-oxo-1-phenyl-1,2-dihydropyridine-3-carboxamide (CID 59159924) is N-[4-[(6-amino-1H-indazol-5-yl)oxy]-3-fluorophenyl]-6-methyl-2-oxo-1-phenylpyridine-3-carboxamide.
What is the SMILES notation for n-(4-(6-Amino-1h-indazol-5-yloxy)-3-fluorophenyl)-6-methyl-2-oxo-1-phenyl-1,2-dihydropyridine-3-carboxamide?
The canonical SMILES for n-(4-(6-Amino-1h-indazol-5-yloxy)-3-fluorophenyl)-6-methyl-2-oxo-1-phenyl-1,2-dihydropyridine-3-carboxamide is CC1=CC=C(C(=O)N1C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)OC4=C(C=C5C(=C4)C=NN5)N)F.
What is the InChIKey of n-(4-(6-Amino-1h-indazol-5-yloxy)-3-fluorophenyl)-6-methyl-2-oxo-1-phenyl-1,2-dihydropyridine-3-carboxamide?
The InChIKey is KQUMPVACLCUODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN5O3/c1-15-7-9-19(26(34)32(15)18-5-3-2-4-6-18)25(33)30-17-8-10-23(20(27)12-17)35-24-11-16-14-29-31-22(16)13-21(24)28/h2-14H,28H2,1H3,(H,29,31)(H,30,33).
What are the key properties of n-(4-(6-Amino-1h-indazol-5-yloxy)-3-fluorophenyl)-6-methyl-2-oxo-1-phenyl-1,2-dihydropyridine-3-carboxamide?
n-(4-(6-Amino-1h-indazol-5-yloxy)-3-fluorophenyl)-6-methyl-2-oxo-1-phenyl-1,2-dihydropyridine-3-carboxamide has a molecular weight of 469.50 g/mol, XLogP of 3.90, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for n-(4-(6-Amino-1h-indazol-5-yloxy)-3-fluorophenyl)-6-methyl-2-oxo-1-phenyl-1,2-dihydropyridine-3-carboxamide is sourced from PubChem (CID 59159924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).